data_5o2v_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5o2v _Structure_validation_residue.Date_analyzed 2017-06-23 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 ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.32 144.91 23.54 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.979 2.453 . . . . 0.0 113.617 -175.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -104.27 3.17 32.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.993 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.512 ' HG1' ' HG2' ' A' ' 52' ' ' GLU . 10.6 m -98.92 124.34 43.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.06 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.629 ' HB2' HG21 ' A' ' 51' ' ' VAL . 3.5 mm? -99.37 130.64 45.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.899 0.381 . . . . 0.0 110.365 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.866 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 57.0 t80 -99.05 92.92 5.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.573 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.606 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 21.2 t -98.44 115.83 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.239 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.12 -173.07 21.06 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.399 176.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' HB2' ' HA ' ' A' ' 76' ' ' VAL . 4.8 m-20 72.8 30.8 1.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.783 0.433 . . . . 0.0 111.169 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -83.02 172.6 12.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.266 0.555 . . . . 0.0 111.569 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.93 ' HB2' ' HD2' ' A' ' 74' ' ' LYS . 24.8 t -141.95 152.38 43.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.192 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -16.16 63.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.035 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.46 -5.31 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.673 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 15' ' ' SER . 47.6 t -85.75 98.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 174.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.2 t -69.15 143.28 54.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.73 0.776 . . . . 0.0 111.459 -173.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.42 -28.52 70.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.46 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' H ' HG23 ' A' ' 19' ' ' THR . 61.1 tp -73.62 -48.26 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.511 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.09 -48.36 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.893 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 36' ' ' CYS . 2.7 mm? -58.98 -44.27 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.07 -41.8 88.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.801 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.56 -41.02 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.316 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 62.0 m-85 -77.38 -34.34 54.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.446 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -66.78 -17.32 64.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.281 0.562 . . . . 0.0 110.731 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -77.65 -14.54 59.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.412 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.5 mm -105.37 -52.42 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.32 169.83 30.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.596 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.76 108.31 2.05 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.675 2.25 . . . . 0.0 111.491 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -74.23 136.1 42.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -99.06 -44.84 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.719 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -147.75 154.46 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.709 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.405 ' HB2' HD21 ' A' ' 24' ' ' LEU . 5.7 p -154.81 118.99 4.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.131 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -129.1 108.93 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.034 0.445 . . . . 0.0 111.546 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 ttt -87.45 108.59 19.08 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.2 0.524 . . . . 0.0 110.787 -174.473 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo . . . . . 0 N--CA 1.464 -0.241 0 CA-C-O 121.044 0.352 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.468 ' HA ' HD22 ' A' ' 14' ' ' LEU . 19.9 p90 -139.78 164.52 29.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -133.22 140.53 47.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.78 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -103.62 108.75 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.939 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.629 HG21 ' HB2' ' A' ' 9' ' ' LEU . 12.3 m -113.43 122.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.11 0.481 . . . . 0.0 110.583 177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HG2' ' HG1' ' A' ' 8' ' ' THR . 42.3 mt-10 -108.4 137.01 47.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 65.0 m-85 -106.02 159.68 15.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 110.675 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -80.47 -11.25 59.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.03 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.584 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -139.99 110.23 6.57 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.838 -169.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -64.65 -34.31 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.392 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.584 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.6 ttt180 -69.11 -26.3 64.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.34 0.59 . . . . 0.0 110.545 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 55' ' ' GLU . 22.2 m80 -83.68 -35.02 24.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.426 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.58 -34.9 73.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.226 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.86 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.576 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.08 62.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.175 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.59 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.705 HD11 HG13 ' A' ' 78' ' ' VAL . 4.8 tp -54.87 -61.4 2.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.499 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.23 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.022 -174.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.25 -23.34 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.53 ' HB2' HG21 ' A' ' 78' ' ' VAL . 22.2 mmt -113.86 -24.46 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.0 t30 -66.01 124.76 23.42 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.125 -0.359 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.79 10.09 84.63 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.101 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.0 ttt180 -80.51 135.13 36.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -89.45 118.51 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.141 0.496 . . . . 0.0 109.95 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.492 HG23 ' HG2' ' A' ' 72' ' ' MET . 65.7 mt -126.47 125.51 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.067 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 71' ' ' ILE . 26.5 mmt 66.71 -77.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 110.932 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.26 22.51 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.087 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.93 ' HD2' ' HB2' ' A' ' 15' ' ' SER . 59.6 mttm -139.37 155.27 47.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.764 0.316 . . . . 0.0 110.986 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.66 109.99 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.472 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.471 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . 17.0 m -79.02 163.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 111.475 -174.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.606 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 21.6 mmmt -136.12 116.99 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.166 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.705 HG13 HD11 ' A' ' 63' ' ' LEU . 43.9 t -102.04 111.75 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.952 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -113.84 166.78 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.79 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -84.07 116.11 22.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.341 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.9 ptt? . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.5 0.666 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.448 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 66.1 Cg_endo -76.9 -44.81 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.941 2.427 . . . . 0.0 114.792 -172.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HG3' ' HA ' ' A' ' 56' ' ' HIS . 42.0 ttmt 79.72 -26.12 0.17 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 110.873 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -80.05 137.48 36.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.63 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.694 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.2 mm? -105.07 139.09 40.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.229 0.538 . . . . 0.0 110.849 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.739 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 84.4 t80 -104.9 100.7 10.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.512 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.678 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.5 t -100.15 113.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 179.01 19.94 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.35 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 67.74 47.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.478 0.711 . . . . 0.0 111.232 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 49' ' ' CYS . 48.6 mt -83.84 149.7 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.232 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -124.38 170.63 10.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -71.26 -12.42 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.432 0.634 . . . . 0.0 109.627 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -81.24 -14.43 57.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.055 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG12 HD23 ' A' ' 14' ' ' LEU . 58.3 t -93.02 122.65 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -100.74 144.44 29.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.858 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -55.38 -40.72 71.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.905 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.74 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.1 tp -75.8 -50.36 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -57.0 -50.45 76.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.777 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.85 -49.11 69.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.899 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.32 -42.52 99.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.822 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 36.7 mt -59.24 -49.62 77.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.86 0.362 . . . . 0.0 111.381 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 83.9 m-85 -74.83 -30.51 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.598 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -63.85 -29.15 70.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 110.599 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.59 -32.95 74.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' A' ' 62' ' ' ALA . 38.2 mm -86.1 -52.95 11.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.9 169.45 28.0 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.585 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.08 112.35 3.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.031 2.488 . . . . 0.0 111.402 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 p -79.46 127.31 31.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.75 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.512 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 38.2 ttpt -82.16 -34.51 29.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.935 -177.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -171.86 147.75 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.414 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HG ' HG12 ' A' ' 51' ' ' VAL . 79.1 m -136.93 132.12 33.99 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.708 ' HE3' HD12 ' A' ' 39' ' ' ILE . 37.5 ttpt -131.1 145.96 52.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -109.98 126.02 53.49 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.695 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.708 HD12 ' HE3' ' A' ' 37' ' ' LYS . 23.7 mm . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 120.893 0.378 . . . . 0.0 110.156 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 4.5 Cg_exo . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.785 0.244 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.04 161.56 38.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.13 0.49 . . . . 0.0 111.472 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.542 ' HB2' HD11 ' A' ' 14' ' ' LEU . 40.7 t -124.61 138.76 54.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.418 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -103.62 111.93 24.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.155 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 ' HB2' ' A' ' 9' ' ' LEU . 13.4 m -110.08 117.92 55.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.533 0.683 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 3.7 mm-40 -96.9 137.97 35.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.16 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 64.1 m-85 -114.79 167.54 10.68 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -86.01 -37.62 18.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.69 136.0 45.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.673 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.449 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 17.3 t60 -76.7 -30.56 56.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.666 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.06 -40.62 82.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 111.654 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -72.6 -18.46 61.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.116 0.484 . . . . 0.0 110.186 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.02 -34.56 78.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.23 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.22 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.9 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.59 84.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.505 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.436 ' HA ' HG13 ' A' ' 30' ' ' ILE . . . -66.3 -37.98 86.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.394 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.802 HD13 HG13 ' A' ' 78' ' ' VAL . 5.5 tp -54.28 -61.4 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.474 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 -22.54 65.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.813 -172.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.32 -15.39 29.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.504 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.44 -35.47 5.26 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.342 -173.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.665 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 36.5 p30 -70.68 146.95 49.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 111.665 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.47 9.64 84.55 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.263 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.518 ' O ' HG21 ' A' ' 76' ' ' VAL . 33.5 ttt180 -94.85 132.28 39.83 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -91.64 118.12 30.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.042 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.683 HG21 ' HG2' ' A' ' 72' ' ' MET . 68.4 mt -126.83 125.98 67.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.683 ' HG2' HG21 ' A' ' 71' ' ' ILE . 24.5 mmt 72.99 -50.45 0.71 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 111.288 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.01 26.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -142.22 139.94 32.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 110.25 18.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 69' ' ' ARG . 19.2 m -76.0 160.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.309 0.576 . . . . 0.0 111.931 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 mmtt -127.79 132.82 49.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.206 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.802 HG13 HD13 ' A' ' 63' ' ' LEU . 20.8 t -129.22 104.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -118.38 177.2 4.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.499 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -89.96 115.43 27.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.824 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.535 ' HD2' ' HE1' ' A' ' 56' ' ' HIS . 73.3 Cg_exo -51.96 -53.94 6.13 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.265 2.643 . . . . 0.0 113.07 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 73.66 -45.91 0.62 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.778 0.674 . . . . 0.0 111.297 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -85.96 131.04 34.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 178.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -97.65 129.85 44.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 0.0 110.635 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 51.4 t80 -99.22 104.01 15.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.542 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.581 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 14.3 t -119.09 119.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.8 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.47 122.56 6.13 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.432 -0.889 . . . . 0.0 111.563 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 3.6 p-10 175.71 5.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 81.9 mt -66.11 142.47 57.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 0.0 111.383 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.489 ' OG ' HG21 ' A' ' 18' ' ' VAL . 90.1 p -129.25 -179.18 4.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.164 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.503 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 3.2 ppt_? -71.95 -12.85 61.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 110.668 175.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -91.2 -37.72 13.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' OG ' ' A' ' 15' ' ' SER . 93.7 t -61.19 138.65 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -121.11 154.43 36.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.47 -44.44 80.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.971 0.415 . . . . 0.0 110.685 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.12 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.977 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.3 tp -82.83 -52.86 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 0.0 110.114 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -53.59 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.12 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.8 -32.29 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.318 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.95 -45.32 67.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 38.0 mt -63.29 -37.46 87.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.985 -178.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.641 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 65.9 m-85 -81.64 -29.3 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.218 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 t -65.63 -23.45 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 0.0 110.057 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.21 -31.66 71.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.064 174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.17 -52.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.3 158.99 27.9 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.117 -1.04 . . . . 0.0 113.152 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.613 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 12.6 Cg_exo -70.6 129.51 16.83 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.851 2.367 . . . . 0.0 111.744 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.73 133.52 34.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.599 ' HD3' ' CE1' ' A' ' 54' ' ' HIS . 26.8 tptp -88.87 -44.11 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.634 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -163.09 146.0 10.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.941 176.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.9 m -135.6 138.4 42.9 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.091 0.472 . . . . 0.0 110.549 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -124.11 147.8 47.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.125 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -132.47 107.89 8.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.527 0.68 . . . . 0.0 109.908 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.805 -176.444 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.743 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 33.1 Cg_exo . . . . . 0 C--O 1.237 0.447 0 CA-C-O 121.206 0.419 . . . . 0.0 112.239 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -127.96 155.16 44.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.544 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -119.97 140.75 50.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.792 -175.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.426 ' CE1' ' HD2' ' A' ' 10' ' ' TYR . 73.9 m-85 -107.64 106.33 16.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.109 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 9' ' ' LEU . 12.4 m -106.91 121.45 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.902 0.382 . . . . 0.0 110.37 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' HB2' HG23 ' A' ' 8' ' ' THR . 31.3 tt0 -119.66 122.94 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.126 0.489 . . . . 0.0 110.331 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.641 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 61.3 m-85 -94.69 171.8 8.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.056 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.613 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 90.3 m-70 -74.57 -32.53 62.43 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.654 0.74 . . . . 0.0 109.537 173.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' OE1' ' HB3' ' A' ' 57' ' ' ARG . 1.8 tm-20 -118.1 120.24 37.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.911 -166.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.535 ' HE1' ' HD2' ' A' ' 6' ' ' PRO . 44.2 t60 -69.85 -33.77 72.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.368 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HB3' ' OE1' ' A' ' 55' ' ' GLU . 14.4 ttm180 -70.39 -23.65 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.282 0.563 . . . . 0.0 110.601 -175.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -81.82 -31.04 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.374 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.41 -32.11 72.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.54 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -62.18 -50.05 73.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.744 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.03 87.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.16 85.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HA ' HG11 ' A' ' 78' ' ' VAL . 8.1 tt -65.39 -49.81 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.6 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.061 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.36 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 91.4 mmm -86.71 -26.65 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -65.01 123.47 19.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.149 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.01 66.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.666 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.489 ' O ' HG21 ' A' ' 76' ' ' VAL . 14.1 ttt180 -83.2 148.61 27.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.854 0.359 . . . . 0.0 110.175 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -101.56 118.51 37.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.64 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.1 mt -136.02 126.16 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.161 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.4 mmm 62.49 25.72 15.32 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.756 0.422 . . . . 0.0 111.423 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.8 1.17 77.33 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.966 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -100.89 136.08 41.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.671 0.388 . . . . 0.0 110.18 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.88 112.6 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.222 0.534 . . . . 0.0 110.207 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.506 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 4.0 m -83.12 145.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.193 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.1 mttp -129.21 124.1 33.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.718 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.536 HG12 HG21 ' A' ' 11' ' ' VAL . 20.7 t -112.44 113.7 44.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.819 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -120.41 158.33 27.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.681 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.498 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.8 m95 -74.59 117.49 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.59 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.957 0.408 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.687 ' HB2' ' HE3' ' A' ' 80' ' ' TRP . 99.8 Cg_exo -42.07 -48.7 6.2 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 114.439 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.9 tttt 74.68 -46.58 0.61 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.779 0.674 . . . . 0.0 111.776 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -88.7 139.71 30.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.85 HD13 HD22 ' A' ' 63' ' ' LEU . 2.7 mm? -100.71 133.38 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.867 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 59.3 t80 -96.18 113.81 25.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.826 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.774 HG22 HG22 ' A' ' 78' ' ' VAL . 86.1 t -106.22 121.19 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.905 0.383 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.18 167.48 12.95 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.924 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 95.1 m-20 71.53 59.77 0.16 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.984 0.461 . . . . 0.0 111.125 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 23.0 mt -84.45 142.82 29.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.444 0.64 . . . . 0.0 110.089 172.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -118.88 161.05 20.82 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.905 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -59.39 -30.68 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 110.15 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.92 14.26 2.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.609 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.01 108.75 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.132 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 t -84.06 144.18 29.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.158 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.19 -32.63 73.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.454 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.46 97.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.502 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' O ' HD22 ' A' ' 26' ' ' LEU . 55.2 tp -68.48 -51.06 47.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.645 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -57.25 -48.58 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.182 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.4 mm? -66.11 -28.8 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.538 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.57 -45.98 77.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 109.847 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -54.72 -41.61 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 64.7 m-85 -80.95 -37.05 30.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.482 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.95 -27.4 69.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.345 . . . . 0.0 110.859 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.73 -22.03 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.364 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.43 -50.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.444 ' HA3' ' HB3' ' A' ' 58' ' ' HIS . . . -154.03 165.4 31.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.57 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.12 118.94 5.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.043 2.495 . . . . 0.0 112.006 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.15 142.94 32.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.364 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -91.59 -52.75 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.502 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -165.36 151.4 9.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.286 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.524 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.4 p -127.34 124.71 39.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -106.95 130.61 54.58 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.0 mmm -110.13 99.2 8.31 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.026 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.498 HD11 ' N ' ' A' ' 39' ' ' ILE . 3.5 mp . . . . . 0 C--N 1.319 -0.728 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.59 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 47.2 Cg_exo . . . . . 0 C--O 1.235 0.349 0 N-CA-C 113.12 0.392 . . . . 0.0 113.12 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -144.69 179.9 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.785 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.576 ' HB2' HD13 ' A' ' 14' ' ' LEU . 50.6 t -145.18 148.69 33.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.402 ' HD2' HD12 ' A' ' 39' ' ' ILE . 58.4 m-85 -120.48 114.6 22.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.181 176.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 127.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.064 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -106.21 139.8 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 27.8 m-85 -108.92 155.47 20.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.907 174.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -84.65 -7.29 59.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.357 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -136.68 122.39 19.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.186 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -62.9 -33.61 75.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.438 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -66.49 -36.46 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.444 ' HB3' ' HA3' ' A' ' 31' ' ' GLY . 11.3 m170 -79.45 -27.93 41.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.553 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -64.3 -37.94 89.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.103 174.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . . . -64.84 -41.96 95.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.343 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.03 84.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.24 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.85 HD22 HD13 ' A' ' 9' ' ' LEU . 2.6 tm? -52.13 -56.81 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.845 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -23.45 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -173.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.15 -29.0 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.429 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -93.09 -40.03 10.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.622 0.249 . . . . 0.0 110.45 -175.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.473 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.4 t30 -63.36 125.83 25.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 -176.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.99 4.38 75.08 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.887 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.495 ' O ' HG21 ' A' ' 76' ' ' VAL . 52.2 ttt180 -91.23 141.23 29.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.835 0.35 . . . . 0.0 110.222 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.49 120.41 25.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 111.261 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -137.37 109.45 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.272 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 mmt 68.7 48.1 0.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.964 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.11 99.73 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.058 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -157.8 156.27 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.064 0.432 . . . . 0.0 110.095 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.9 113.63 25.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 69' ' ' ARG . 17.2 m -77.92 161.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.718 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttm -128.73 120.79 27.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.774 HG22 HG22 ' A' ' 11' ' ' VAL . 41.4 t -129.99 108.49 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.727 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.621 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 33.1 p30 -126.94 173.43 9.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.605 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.687 ' HE3' ' HB2' ' A' ' 6' ' ' PRO . 89.1 m95 -79.31 110.35 14.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.082 0.468 . . . . 0.0 110.655 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.867 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.858 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HG2' ' HB3' ' A' ' 80' ' ' TRP . 83.0 Cg_exo -46.68 -41.73 24.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.855 3.036 . . . . 0.0 113.902 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 75.54 -47.25 0.59 Allowed 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.713 0.633 . . . . 0.0 111.975 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -90.77 140.88 29.37 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.627 HD13 HD22 ' A' ' 63' ' ' LEU . 2.9 mm? -98.29 131.6 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.818 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 70.1 t80 -99.92 101.24 12.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.505 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.719 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 98.3 t -105.55 112.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -113.44 -175.98 19.28 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.644 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.37 43.21 2.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 110.915 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 57.9 mt -72.96 147.25 45.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.273 0.558 . . . . 0.0 110.366 175.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.721 ' HB3' HG21 ' A' ' 18' ' ' VAL . 22.7 t -110.23 155.75 21.59 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.04 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -71.95 -9.5 58.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.639 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' CG ' ' HG ' ' A' ' 15' ' ' SER . 1.5 p30 -95.05 -4.86 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.913 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.721 HG21 ' HB3' ' A' ' 15' ' ' SER . 80.0 t -84.7 125.24 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -100.13 147.59 25.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.904 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 29.4 tt0 -62.46 -40.77 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.29 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.899 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.98 -48.99 64.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.733 -176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.73 -51.16 73.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.254 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -64.64 -33.97 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.473 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.65 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 66' ' ' MET . 35.0 mt -66.68 -36.2 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' HB3' ' HZ ' ' A' ' 53' ' ' PHE . 52.3 m-85 -76.59 -37.66 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.79 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t -62.72 -25.72 68.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -66.18 -26.94 67.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.751 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.9 mm -94.08 -48.92 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -154.56 179.51 30.63 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.377 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -87.0 124.85 2.19 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.964 2.443 . . . . 0.0 112.159 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.34 123.18 47.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 pttp -77.92 -27.32 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.016 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -169.71 155.11 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.035 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.615 ' HB3' HD11 ' A' ' 24' ' ' LEU . 30.3 p -128.57 149.67 50.52 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -128.27 106.94 9.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.219 0.533 . . . . 0.0 109.889 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.473 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 34.5 ttp -103.73 108.18 19.37 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.877 -177.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.411 HG13 ' CE2' ' A' ' 48' ' ' TYR . 32.4 mm . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.272 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.638 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.1 Cg_exo . . . . . 0 N--CA 1.462 -0.378 0 CA-C-O 120.864 0.277 . . . . 0.0 112.145 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.44 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 18.6 p90 -139.16 161.01 38.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.028 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' HB2' HD13 ' A' ' 14' ' ' LEU . 49.5 t -135.73 135.22 39.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.44 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -98.59 121.13 40.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.339 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 9' ' ' LEU . 12.6 m -113.49 120.7 64.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 175.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -107.27 114.7 28.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.553 ' HZ ' ' HB3' ' A' ' 27' ' ' PHE . 62.5 m-85 -92.26 -172.06 3.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.538 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 97.6 m-70 -106.82 -45.03 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.005 0.431 . . . . 0.0 110.196 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -100.68 120.75 40.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.219 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.31 -29.83 64.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.715 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.63 -22.03 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -80.63 -33.82 35.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.28 90.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.341 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.008 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.84 -38.48 79.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.899 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -36.86 76.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.789 HD23 HG13 ' A' ' 78' ' ' VAL . 2.1 tm? -53.94 -60.43 3.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.469 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.86 62.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.4 -35.63 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.704 0.288 . . . . 0.0 111.626 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.549 ' HE1' HD13 ' A' ' 26' ' ' LEU . 11.9 tpt -92.03 -29.15 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.532 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.7 t30 -67.25 123.7 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.7 10.3 67.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -93.96 128.27 40.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.671 ' HZ3' ' HB2' ' A' ' 70' ' ' LYS . 1.9 ttmp? -94.5 107.11 19.09 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.664 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 mp -100.94 123.04 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.581 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.9 mmm 69.46 -64.35 0.34 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.027 0.829 . . . . 0.0 112.021 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.64 53.08 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HB2' ' HZ3' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -157.57 142.16 16.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.04 110.0 15.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.29 168.55 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.149 0.5 . . . . 0.0 111.606 -175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.719 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 52.6 mtmt -131.01 124.93 31.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.456 174.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.789 HG13 HD23 ' A' ' 63' ' ' LEU . 50.3 t -129.05 104.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.001 0.429 . . . . 0.0 109.846 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -125.88 173.73 8.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.4 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.523 ' HB3' ' HG2' ' A' ' 6' ' ' PRO . 86.3 m95 -82.9 120.1 25.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.633 0.254 . . . . 0.0 110.854 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.917 0.389 . . . . 0.0 109.999 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.455 0.169 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -58.39 103.11 0.15 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.375 2.05 . . . . 0.0 111.46 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -88.38 -3.56 58.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.109 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.8 m -107.64 137.3 45.9 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.27 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.7 HD23 ' HB2' ' A' ' 59' ' ' ALA . 3.6 mm? -104.54 131.95 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.1 t80 -93.24 100.31 12.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.871 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 78' ' ' VAL . 50.2 t -102.46 114.63 42.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.834 0.349 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -103.2 175.43 23.84 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.472 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 6.1 m-20 72.73 59.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.165 0.507 . . . . 0.0 111.289 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 49' ' ' CYS . 61.3 mt -86.66 178.72 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.321 0.581 . . . . 0.0 110.973 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.819 ' HB3' HG22 ' A' ' 18' ' ' VAL . 30.7 t -149.3 160.03 43.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.95 -9.82 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.174 0.511 . . . . 0.0 109.724 175.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -98.56 2.21 47.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.663 0.744 . . . . 0.0 109.898 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.819 HG22 ' HB3' ' A' ' 15' ' ' SER . 82.1 t -104.15 110.95 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.393 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -91.28 147.24 23.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 33.5 tt0 -59.83 -35.83 75.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.366 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.06 73.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.047 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.1 tp -74.9 -53.28 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -53.79 -52.78 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -63.51 -41.0 98.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.426 -177.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -64.1 -40.49 96.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.624 0.25 . . . . 0.0 110.675 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 39.3 mt -60.83 -45.0 96.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.62 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 54.3 m-85 -71.31 -30.48 66.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -64.33 -29.96 71.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.545 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 -26.57 65.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.91 -53.39 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.423 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.93 157.33 27.22 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.427 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.62 116.05 3.08 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.566 2.177 . . . . 0.0 111.709 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.2 m -84.35 145.02 28.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -112.83 -39.66 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.662 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . 4.3 t-20 -146.29 151.64 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.613 0.244 . . . . 0.0 110.421 -176.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.547 ' HB3' HD13 ' A' ' 24' ' ' LEU . 23.8 p -141.46 130.43 23.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -141.28 112.91 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.485 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 15.1 ptp -85.72 142.59 28.89 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 171.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.341 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo . . . . . 0 N--CA 1.473 0.293 0 N-CA-C 113.854 0.675 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -132.25 165.84 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.682 ' HB2' HD11 ' A' ' 14' ' ' LEU . 47.7 t -136.71 146.15 45.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.913 0.387 . . . . 0.0 110.993 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.82 116.14 31.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.239 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.4 m -114.39 121.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.429 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.0 tt0 -105.23 133.01 50.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.717 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 10.5 m-85 -102.46 157.63 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -80.21 -31.83 38.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 170.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 2.3 tm-20 -115.47 111.47 20.81 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.359 -170.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -71.31 -34.25 70.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.757 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 12.2 tpt180 -64.12 -34.38 77.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.468 . . . . 0.0 110.502 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -77.14 -28.02 54.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.346 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB2' HD23 ' A' ' 9' ' ' LEU . . . -63.58 -29.53 70.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.381 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.67 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.772 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.44 96.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.96 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.596 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.544 HD21 HD11 ' A' ' 9' ' ' LEU . 3.1 tm? -55.59 -54.47 43.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.339 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.95 75.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.1 -40.29 31.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -86.69 -20.25 28.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.02 115.98 8.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.427 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 10.13 58.65 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.529 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -72.88 155.39 39.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -105.88 101.16 10.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.486 HD11 HG12 ' A' ' 76' ' ' VAL . 73.1 mt -118.86 116.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.2 mmt 59.62 34.82 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.816 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.19 84.81 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.819 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -123.48 137.96 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.02 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.133 0.492 . . . . 0.0 110.516 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.486 HG12 HD11 ' A' ' 71' ' ' ILE . 17.4 m -78.99 151.04 5.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.74 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -131.05 121.62 25.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.545 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 11' ' ' VAL . 21.3 t -112.91 129.27 68.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.577 -174.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -134.36 163.08 30.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.492 ' CE2' ' HG ' ' A' ' 63' ' ' LEU . 94.3 m95 -72.67 108.5 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.277 . . . . 0.0 110.848 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.79 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 0.0 110.316 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.3 mtp . . . . . 0 CA--C 1.527 0.075 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.768 ' HG3' ' HB3' ' A' ' 80' ' ' TRP . 29.0 Cg_endo -63.11 -47.25 8.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 113.616 -175.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 48.7 mtpt 73.17 -44.29 0.59 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.392 0.677 . . . . 0.0 111.826 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 m -80.15 125.89 30.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.596 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.675 HD22 ' HB1' ' A' ' 59' ' ' ALA . 4.4 mm? -92.33 132.53 36.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.976 0.417 . . . . 0.0 110.191 176.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.609 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 33.2 t80 -99.48 109.31 21.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.716 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 46.2 t -111.02 122.07 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.76 178.42 16.94 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.714 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m120 70.92 30.15 2.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.171 0.589 . . . . 0.0 111.545 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 48' ' ' TYR . 4.6 mm? -70.55 167.8 17.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.688 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -147.48 150.65 34.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -6.92 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.6 -24.06 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.209 172.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.71 125.44 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.182 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 t -84.82 143.57 29.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.548 0.689 . . . . 0.0 110.553 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.08 -24.87 65.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.348 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.62 94.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.211 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 59.4 tp -69.79 -50.74 40.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.45 -52.65 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.042 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD13 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -61.09 -41.67 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.75 -45.44 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.161 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 32.9 mt -57.58 -37.71 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.821 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.459 ' HZ ' HG23 ' A' ' 11' ' ' VAL . 36.8 m-85 -85.61 -27.52 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.949 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.5 t -67.3 -33.79 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -177.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -70.73 -19.3 62.75 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.133 0.492 . . . . 0.0 110.652 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.6 mm -89.26 -45.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.711 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 58' ' ' HIS . . . -168.79 163.98 37.66 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.787 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 23.5 Cg_exo -64.83 113.82 2.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.45 2.1 . . . . 0.0 112.035 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.32 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.141 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 20.8 tptp -88.16 -32.14 18.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.777 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 95.9 m-20 -127.49 137.89 52.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.876 0.369 . . . . 0.0 110.689 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB3' HD13 ' A' ' 24' ' ' LEU . 4.2 p -125.33 105.02 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.98 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.714 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.3 mmtp -102.9 107.15 17.88 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.232 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 ttp -107.57 99.29 8.8 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mm . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.231 -174.545 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.233 0.257 0 CA-C-O 120.886 0.286 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.533 ' HA ' HD22 ' A' ' 14' ' ' LEU . 15.8 p90 -139.63 161.63 37.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 49.9 t -128.9 136.6 50.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.059 0.457 . . . . 0.0 111.512 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.714 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.1 m-85 -107.73 122.5 46.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.049 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.4 122.83 70.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.898 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.777 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -87.44 115.11 24.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 177.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.504 ' CE2' HD23 ' A' ' 9' ' ' LEU . 21.5 m-85 -98.48 130.77 45.08 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.614 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 84.4 m-70 -60.76 -31.6 70.93 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.328 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.81 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.541 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -77.73 -27.65 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.818 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -47.35 80.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.71 0.29 . . . . 0.0 111.465 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 3.3 p-80 -76.9 -9.7 58.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.112 0.482 . . . . 0.0 110.403 -176.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.675 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -64.16 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.353 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.67 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.549 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.67 84.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.877 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.69 -36.46 62.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.606 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.625 HD12 HG12 ' A' ' 78' ' ' VAL . 7.6 tp -56.19 -57.7 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.058 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.08 -15.2 62.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.155 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.3 6.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.756 0.312 . . . . 0.0 111.481 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.442 ' HE3' ' HB3' ' A' ' 26' ' ' LEU . 1.3 mpt? -88.49 -23.58 23.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -172.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.487 ' HA ' HG22 ' A' ' 78' ' ' VAL . 55.6 t30 -62.16 120.96 11.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.75 10.89 75.23 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.013 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.0 ttt180 -88.22 140.61 29.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.051 0.453 . . . . 0.0 110.599 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.0 110.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.502 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 72' ' ' MET . 65.6 mt -120.71 123.92 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.672 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.527 ' HG2' HG21 ' A' ' 71' ' ' ILE . 23.6 mmt 68.41 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.255 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.05 20.13 0.75 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -141.4 158.31 44.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.262 -177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -94.19 120.2 34.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.333 173.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.491 HG12 HD12 ' A' ' 71' ' ' ILE . 23.0 m -85.62 152.63 3.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.023 0.439 . . . . 0.0 110.53 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.3 mttm -130.27 128.53 41.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.964 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 63' ' ' LEU . 10.3 t -117.33 123.31 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.43 -177.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -132.02 165.26 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.507 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.768 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 42.8 m0 -80.56 112.61 18.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.424 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.609 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.514 0.674 . . . . 0.0 109.694 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.92 90.6 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.065 1.843 . . . . 0.0 111.122 169.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -89.21 -7.65 55.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.635 0.731 . . . . 0.0 109.864 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -121.95 134.24 54.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.531 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.794 HD13 HD22 ' A' ' 63' ' ' LEU . 3.0 mm? -100.14 139.79 35.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.86 0.362 . . . . 0.0 110.492 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.677 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 33.1 t80 -103.44 105.64 15.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.793 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 78' ' ' VAL . 60.7 t -105.18 112.74 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.96 170.61 20.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.426 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 73.03 40.53 0.55 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.402 0.681 . . . . 0.0 111.645 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 49' ' ' CYS . 57.9 mt -79.62 145.65 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.14 0.495 . . . . 0.0 109.921 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.58 ' HB3' HG23 ' A' ' 18' ' ' VAL . 48.2 t -94.7 167.7 11.29 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.443 176.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.657 ' NH1' ' HA ' ' A' ' 16' ' ' ARG . 7.2 mmm180 -80.5 -6.74 58.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.517 0.675 . . . . 0.0 109.339 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.76 -1.26 46.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.425 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.58 HG23 ' HB3' ' A' ' 15' ' ' SER . 88.3 t -85.33 126.74 40.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -98.15 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.934 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.56 -41.32 84.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.056 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.95 69.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.875 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.7 tt -69.68 -49.87 49.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.921 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 HD12 HG12 ' A' ' 18' ' ' VAL . 51.4 mm -54.27 -58.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.737 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 36' ' ' CYS . 6.6 tp -56.89 -42.34 79.68 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.626 -174.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.27 -42.49 96.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.142 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 22.2 mt -60.82 -38.41 85.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.576 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 80.6 m-85 -82.87 -32.98 27.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.2 m -65.28 -22.4 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.62 -34.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.178 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.2 mm -92.87 -53.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.911 -176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.29 160.39 28.17 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.943 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.2 112.34 2.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.944 2.43 . . . . 0.0 111.74 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 m -95.32 140.18 30.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.308 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 52.9 tptt -108.06 -43.68 4.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.368 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -129.03 140.68 51.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.907 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.508 ' HB2' HD11 ' A' ' 24' ' ' LEU . 49.2 t -128.26 104.57 7.81 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.239 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 27.1 tttp -93.86 141.39 28.56 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.809 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 84.5 mtp -124.3 104.11 8.61 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.757 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.437 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 38.2 mm . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.277 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo . . . . . 0 C--O 1.234 0.321 0 N-CA-C 114.206 0.81 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 11.3 p90 -130.9 151.49 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.391 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.624 ' HB2' HD12 ' A' ' 14' ' ' LEU . 46.1 t -117.48 143.27 46.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.391 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.562 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 76.5 m-85 -111.17 109.74 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.742 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 m -104.91 125.93 59.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -106.3 123.13 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 15.9 m-85 -96.61 165.36 12.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 34' ' ' LYS . 93.2 m-70 -89.02 -7.78 55.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.214 171.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -143.19 112.31 6.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.649 -169.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.24 -33.4 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.766 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 76.8 mtt180 -70.15 -31.98 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 0.0 110.298 -176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.85 -34.73 39.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.842 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.792 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -59.38 -40.37 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.597 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.81 90.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.04 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.34 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.601 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.658 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.794 HD22 HD13 ' A' ' 9' ' ' LEU . 3.2 tm? -54.01 -58.52 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.214 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.7 59.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.98 -35.12 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' A' ' 26' ' ' LEU . 31.4 tpp -97.08 -24.06 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.59 111.16 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.425 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.99 6.21 30.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.389 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 26.4 tpt180 -76.81 157.32 31.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 82.6 tttt -117.48 118.22 31.58 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.912 0.386 . . . . 0.0 110.164 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.441 HG22 ' HG2' ' A' ' 72' ' ' MET . 72.1 mt -126.84 118.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.636 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.441 ' HG2' HG22 ' A' ' 71' ' ' ILE . 22.2 mmt 61.21 35.31 18.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.253 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.02 -18.58 57.17 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.375 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' HD3' ' HB2' ' A' ' 15' ' ' SER . 29.8 mtpp -110.19 135.14 51.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.019 0.409 . . . . 0.0 111.314 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 54.3 mt-10 -84.88 119.43 25.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.004 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.0 m -76.73 155.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.233 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -130.78 111.29 12.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.728 HG22 HG23 ' A' ' 11' ' ' VAL . 11.7 t -106.32 116.63 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.149 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -125.31 168.31 13.7 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.294 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -68.31 123.29 20.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' A' ' 8' ' ' THR . 9.7 Cg_endo -55.87 -55.5 2.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.502 2.135 . . . . 0.0 112.901 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 71.25 -14.94 0.44 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.135 0.574 . . . . 0.0 111.493 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.483 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.3 m -109.34 134.01 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.014 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.619 HD23 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -103.29 134.57 46.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.069 0.462 . . . . 0.0 110.338 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.878 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 69.6 t80 -95.61 109.42 21.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.693 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.697 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.7 t -106.84 124.99 62.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.761 176.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.34 178.7 16.39 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.103 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.96 34.76 6.89 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.981 0.512 . . . . 0.0 111.027 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -68.1 148.26 51.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.784 ' HB2' HG22 ' A' ' 18' ' ' VAL . 6.2 m -114.18 155.0 26.87 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.537 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.0 mpt_? -75.85 -16.14 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -93.37 4.66 53.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.481 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 15' ' ' SER . 74.7 t -89.59 129.26 40.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 174.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.1 t -96.65 148.06 23.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.772 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HG2' HD21 ' A' ' 24' ' ' LEU . 31.1 tt0 -58.38 -36.93 74.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.167 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.63 69.79 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.603 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 62.2 tp -71.73 -55.53 7.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.46 -47.51 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.909 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD21 ' HG2' ' A' ' 20' ' ' GLU . 3.4 mm? -56.92 -45.81 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.26 -41.25 85.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.138 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 33.9 mt -58.16 -43.77 87.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 75.8 m-85 -82.92 -28.91 29.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.4 t -61.24 -31.18 70.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.111 0.481 . . . . 0.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.37 -28.0 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.613 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.46 -50.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.54 153.24 24.67 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.034 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.69 ' HD2' ' HG3' ' A' ' 55' ' ' GLU . 66.9 Cg_exo -53.37 113.82 1.47 Allowed 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.031 2.487 . . . . 0.0 112.223 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.94 136.05 37.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.775 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -88.87 -49.29 6.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.557 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -164.99 150.36 9.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.521 ' HG ' HG12 ' A' ' 51' ' ' VAL . 61.7 m -131.17 111.38 11.9 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 13.4 mmmm -97.67 107.0 19.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.371 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -90.05 100.08 12.97 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.8 mm . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.258 -177.656 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 CA-C-O 120.839 0.266 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.571 ' HA ' HD21 ' A' ' 14' ' ' LEU . 8.0 p90 -137.19 152.11 49.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.006 0.431 . . . . 0.0 111.084 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 46.7 t -125.02 139.21 54.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.013 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.467 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.3 m-85 -108.14 106.67 16.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.984 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 9' ' ' LEU . 22.4 m -104.37 124.13 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.164 0.507 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.28 143.45 32.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.358 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 44.6 m-85 -116.73 155.12 29.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -87.48 -8.13 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.69 ' HG3' ' HD2' ' A' ' 32' ' ' PRO . 36.6 mm-40 -118.08 93.53 4.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.673 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -65.35 -29.31 70.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -68.37 -37.4 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.507 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 55' ' ' GLU . 17.3 m80 -84.36 -26.08 28.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' HD23 ' A' ' 9' ' ' LEU . . . -56.53 -38.24 71.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.61 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.31 85.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.945 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 9.2 tt -61.59 -41.58 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.65 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.8 -30.8 17.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -96.72 -25.51 15.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -172.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.553 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.5 t30 -74.4 138.85 43.63 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.472 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.18 85.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -98.13 159.6 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -176.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 28.2 ttpt -97.38 102.24 13.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.544 HD11 HG13 ' A' ' 76' ' ' VAL . 65.5 mt -101.5 120.5 51.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm 68.25 -71.42 0.11 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.956 0.785 . . . . 0.0 110.713 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.5 34.83 0.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HE3' ' OG ' ' A' ' 15' ' ' SER . 2.1 tppt? -135.79 149.77 49.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -175.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.71 108.63 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.544 HG13 HD11 ' A' ' 71' ' ' ILE . 17.3 m -88.85 168.65 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.491 0.663 . . . . 0.0 112.351 -168.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 42.9 mmtm -133.58 122.39 23.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.068 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 45.1 t -126.36 98.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.03 165.26 14.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.919 -175.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -86.72 112.26 21.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.878 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.984 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 C--O 1.233 0.223 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 8' ' ' THR . 26.8 Cg_endo -63.93 -58.99 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.208 1.939 . . . . 0.0 111.483 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 73.82 -9.18 1.26 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.16 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.879 ' HG1' ' HG3' ' A' ' 52' ' ' GLU . 49.4 m -92.89 120.05 32.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.471 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 59' ' ' ALA . 3.4 mm? -95.37 128.32 42.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 42.0 t80 -95.2 117.33 30.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.419 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 78' ' ' VAL . 48.6 t -115.42 121.21 66.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.335 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -106.66 168.99 14.86 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.977 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 93.2 m-20 75.87 49.86 0.07 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.316 0.647 . . . . 0.0 112.088 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.814 HD13 ' HB2' ' A' ' 49' ' ' CYS . 62.6 mt -88.84 177.59 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -148.59 167.31 25.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 4.6 mpt_? -68.92 -23.9 64.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.5 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.31 -28.94 67.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.245 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.91 123.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.618 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 22' ' ' LEU . 4.2 t -92.34 146.28 23.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.09 -35.11 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.367 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.89 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.963 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 67.7 tp -68.49 -53.53 22.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.278 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.7 -53.87 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -63.49 -37.64 88.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.285 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.29 -44.4 95.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 110.892 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 29.3 mt -62.98 -43.93 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 66' ' ' MET . 37.6 m-85 -68.96 -35.7 77.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.298 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -61.58 -30.11 70.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -69.28 -27.92 65.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.412 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.4 mm -90.59 -53.16 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.22 160.86 28.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 37.1 Cg_endo -66.25 116.16 3.88 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.631 2.221 . . . . 0.0 112.136 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.26 125.05 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.018 0.437 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -87.12 -40.37 14.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.267 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -159.89 153.19 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.539 ' HB3' HD12 ' A' ' 24' ' ' LEU . 13.8 p -126.28 147.08 49.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.153 0.502 . . . . 0.0 111.368 -176.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 42.7 mmtm -123.58 110.03 14.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.384 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.1 ttm -95.53 99.32 11.22 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.0 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 0.0 110.482 -177.155 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo . . . . . 0 C--O 1.234 0.28 0 N-CA-C 114.41 0.888 . . . . 0.0 114.41 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -132.06 166.29 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.718 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.814 ' HB2' HD13 ' A' ' 14' ' ' LEU . 49.6 t -135.85 141.74 44.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.115 0.483 . . . . 0.0 111.126 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.822 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 95.8 m-85 -109.99 139.15 45.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.32 112.87 8.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.492 0.663 . . . . 0.0 110.715 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.879 ' HG3' ' HG1' ' A' ' 8' ' ' THR . 3.5 mp0 -85.99 117.92 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.682 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.93 157.97 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.03 0.443 . . . . 0.0 111.059 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.559 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 90.0 m-70 -81.6 -14.43 56.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.745 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.522 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -141.89 124.33 15.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.839 -165.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -78.43 -34.81 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.994 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.522 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 42.1 ttm180 -67.64 -32.87 73.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.018 0.437 . . . . 0.0 110.582 -175.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -77.83 -31.09 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.342 0.592 . . . . 0.0 109.758 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -66.62 -23.08 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.629 177.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.03 -42.6 80.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.448 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.42 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.243 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -34.65 76.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.46 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -62.11 -43.95 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.19 27.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.208 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.19 -33.36 19.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 13.9 tpt -87.83 -40.12 14.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 -176.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.534 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 3.0 t-20 -74.65 110.33 8.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.68 -7.33 13.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.368 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -71.61 165.93 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -121.1 119.84 33.59 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.881 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.95 118.88 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.22 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.9 mmm 56.15 32.82 20.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.129 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.26 20.96 69.83 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.892 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -122.2 148.34 45.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.341 0.57 . . . . 0.0 110.407 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.59 109.22 7.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.59 ' O ' HG21 ' A' ' 76' ' ' VAL . 30.3 m -74.12 108.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.902 0.858 . . . . 0.0 109.884 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 16.0 mmtm -102.6 109.12 20.63 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 11' ' ' VAL . 26.1 t -115.85 117.03 54.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.646 -174.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.517 ' HA ' HD23 ' A' ' 63' ' ' LEU . 10.2 p30 -128.88 158.33 39.06 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -85.62 103.27 14.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.331 0.586 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.691 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.4 mtp . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.76 -45.94 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.505 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mttp 70.61 -54.89 0.64 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.895 0.878 . . . . 0.0 112.468 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 m -82.88 139.53 33.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 0.0 111.605 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 59' ' ' ALA . 3.6 mm? -93.84 138.83 31.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 51.7 t80 -104.81 105.59 15.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.59 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.744 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 66.1 t -111.43 112.82 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.828 0.347 . . . . 0.0 110.73 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.58 -170.01 18.75 Favored Glycine 0 C--O 1.237 0.33 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.788 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 43.24 9.01 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.027 0.531 . . . . 0.0 111.205 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 30.6 mt -69.97 157.4 37.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.457 . . . . 0.0 111.28 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.601 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.0 m -131.57 158.85 39.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.26 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -41.47 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.614 0.245 . . . . 0.0 111.546 -175.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -78.48 -0.79 30.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.369 . . . . 0.0 111.191 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' HB2' ' A' ' 15' ' ' SER . 86.8 t -88.12 109.03 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.636 HG21 ' H ' ' A' ' 22' ' ' LEU . 12.0 t -88.34 144.63 26.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 0.0 111.017 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 36.2 tt0 -56.51 -39.87 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.822 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.86 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.784 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.636 ' H ' HG21 ' A' ' 19' ' ' THR . 67.5 tp -68.26 -52.72 30.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.838 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.26 -53.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.664 0.602 . . . . 0.0 111.334 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.32 -38.97 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.541 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.92 -43.91 94.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.16 -43.17 99.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 45.3 m-85 -70.34 -33.02 70.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -66.29 -24.69 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.727 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -73.9 -25.37 59.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.324 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mm -85.98 -51.32 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.89 -179.21 23.71 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.025 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.49 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 6.1 Cg_exo -78.55 107.54 2.3 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -73.41 121.22 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.313 0.578 . . . . 0.0 110.549 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -84.47 -57.34 3.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.432 ' HB3' ' OE2' ' A' ' 52' ' ' GLU . 53.7 t30 -153.72 159.38 41.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.817 -171.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 p -126.84 107.16 9.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.245 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.909 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 24.9 mmmt -89.09 104.82 17.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.612 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 47.3 ttm -100.26 107.87 19.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.348 -176.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mm . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.276 -177.267 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.42 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 7.2 Cg_exo . . . . . 0 N--CA 1.459 -0.516 0 CA-C-O 120.732 0.222 . . . . 0.0 111.674 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -131.53 151.59 51.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.2 t -127.31 135.94 51.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.699 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.909 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 96.5 m-85 -95.02 122.19 37.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.721 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.79 113.17 41.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.795 0.331 . . . . 0.0 110.192 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' OE2' ' HB3' ' A' ' 35' ' ' ASN . 42.7 mt-10 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 50.2 m-85 -109.31 155.68 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.49 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 97.1 m-70 -87.25 -7.02 58.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.73 120.68 19.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.075 -177.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.42 -35.3 79.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.377 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.65 -42.5 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 109.976 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.658 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -64.02 -38.96 92.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.618 171.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.85 89.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.959 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.06 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.83 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.594 HD23 HG12 ' A' ' 78' ' ' VAL . 1.7 tm? -53.97 -51.07 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.072 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.214 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.36 -29.0 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -171.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.5 mmm -96.79 -32.99 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.667 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.4 t30 -72.77 111.33 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.007 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 -8.64 28.66 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.722 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -84.43 124.06 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -83.19 121.15 26.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.602 HG23 ' HG2' ' A' ' 72' ' ' MET . 64.9 mt -129.23 135.06 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.499 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.602 ' HG2' HG23 ' A' ' 71' ' ' ILE . 21.6 mmt 69.68 -72.37 0.11 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 111.858 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 44.58 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -152.3 166.55 31.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -83.63 138.63 33.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -98.59 148.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.744 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.0 mttm -129.77 109.15 10.72 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.667 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 39.9 t -118.96 99.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -120.0 168.19 11.41 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.667 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.493 ' NE1' ' HG ' ' A' ' 63' ' ' LEU . 91.9 m95 -83.41 116.91 22.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.534 0.207 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.89 106.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 111.985 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -101.69 -3.04 28.92 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.435 0.636 . . . . 0.0 109.78 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.3 m -108.27 140.27 41.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.675 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 59' ' ' ALA . 3.6 mm? -104.16 131.14 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.905 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 73.5 t80 -97.66 99.83 11.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.553 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.738 ' HB ' ' HG ' ' A' ' 49' ' ' CYS . 34.6 t -97.35 118.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -116.89 -176.36 17.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.447 HD21 ' N ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER 68.5 25.61 6.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.831 0.453 . . . . 0.0 110.849 -179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.32 158.51 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.604 0.716 . . . . 0.0 111.69 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -126.4 149.93 48.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.522 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -7.49 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.309 0.576 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.04 -9.22 58.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.511 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.9 t -102.5 125.75 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.035 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.5 t -90.88 149.01 22.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 111.471 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.02 -44.9 75.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.079 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.5 68.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.438 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 62.2 tp -67.93 -52.84 31.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.053 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 40.5 mm -57.71 -50.94 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.023 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' A' ' 36' ' ' CYS . 3.8 mm? -58.74 -45.41 89.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.397 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.61 -40.11 94.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.688 0.28 . . . . 0.0 111.116 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 37.4 mt -61.9 -46.35 89.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.538 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.465 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 68.8 m-85 -76.68 -32.83 58.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.274 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -61.12 -28.6 69.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.096 0.474 . . . . 0.0 110.625 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -42.17 99.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.658 176.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.17 -48.69 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.844 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.06 170.55 35.47 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.161 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.68 122.04 8.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.779 2.319 . . . . 0.0 112.091 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.9 p -77.62 136.61 38.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.464 0.649 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.31 -48.03 7.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -154.82 155.73 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.498 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.644 ' HB3' HD13 ' A' ' 24' ' ' LEU . 9.8 p -131.11 123.22 28.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 123.381 0.425 . . . . 0.0 110.409 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.762 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.3 mmmm -124.72 106.55 10.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.098 0.475 . . . . 0.0 110.723 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.3 tpp -92.14 105.78 17.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.06 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 mm . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.513 . . . . 0.0 110.373 -178.337 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.462 -0.335 0 CA-C-O 121.111 0.38 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.87 154.23 42.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.611 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.738 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -129.81 134.96 47.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.762 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 66.8 m-85 -95.29 116.36 28.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 9' ' ' LEU . 4.0 p -118.59 111.89 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.308 0.575 . . . . 0.0 110.097 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -98.04 139.5 33.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.864 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.446 ' CD2' HD22 ' A' ' 9' ' ' LEU . 28.3 m-85 -104.48 156.84 17.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.052 0.453 . . . . 0.0 110.529 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.45 -9.38 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.38 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.2 121.68 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.291 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -63.26 -29.47 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 57' ' ' ARG . 27.1 mtm105 -60.23 -43.4 96.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.47 -23.05 34.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.262 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -61.05 -39.32 89.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.883 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HA ' ' CH2' ' A' ' 80' ' ' TRP . . . -64.51 -44.32 91.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.241 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.9 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.669 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -54.06 -52.52 60.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.221 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.38 -20.35 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.63 -37.31 15.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -102.68 -15.62 16.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -73.02 111.03 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.655 0.264 . . . . 0.0 110.733 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.11 10.7 55.86 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.743 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.0 ttt180 -82.88 144.66 29.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 111.116 -173.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -77.05 98.98 5.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.716 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.504 HD12 HG12 ' A' ' 76' ' ' VAL . 70.2 mt -120.49 121.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.555 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt 66.0 -78.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 111.846 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.78 27.31 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -140.52 143.71 35.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.39 108.58 8.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 71' ' ' ILE . 24.7 m -79.1 131.11 35.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.7 mttp -123.63 121.07 34.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.062 0.458 . . . . 0.0 110.975 -176.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 11' ' ' VAL . 21.8 t -109.49 119.84 59.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.887 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -124.17 164.34 19.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.401 ' CH2' ' HA ' ' A' ' 60' ' ' ALA . 97.6 m95 -73.07 113.74 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.528 0.204 . . . . 0.0 110.729 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.018 0.437 . . . . 0.0 110.824 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.28 126.03 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.39 2.06 . . . . 0.0 112.618 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.22 -15.28 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.185 0.517 . . . . 0.0 110.08 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.462 HG21 ' HG2' ' A' ' 52' ' ' GLU . 3.0 m -88.33 119.68 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.379 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.812 HD23 ' HB2' ' A' ' 59' ' ' ALA . 3.8 mm? -98.76 123.23 42.85 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.849 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 82.4 t80 -91.69 105.61 17.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.756 ' HB ' ' HG ' ' A' ' 49' ' ' CYS . 59.2 t -106.91 121.08 59.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.81 176.42 17.58 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.199 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 67.16 50.71 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.089 0.556 . . . . 0.0 111.011 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.794 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -84.5 148.23 26.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.168 0.508 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.754 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.6 t -97.81 151.53 20.11 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.681 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -9.11 57.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -174.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.36 4.87 31.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.287 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.754 HG23 ' HB3' ' A' ' 15' ' ' SER . 97.4 t -81.42 145.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -125.88 153.71 43.77 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.274 -177.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HG2' HD23 ' A' ' 24' ' ' LEU . 35.5 tt0 -50.46 -47.21 56.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.631 0.372 . . . . 0.0 111.192 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.51 63.87 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.919 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tt -77.55 -46.38 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.962 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 HD11 HG11 ' A' ' 18' ' ' VAL . 47.0 mm -60.59 -45.48 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.406 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.2 mm? -55.16 -43.95 74.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.948 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -68.68 -48.8 63.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -176.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.96 -47.08 84.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -176.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.53 -22.89 43.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.501 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.5 t -64.26 -31.24 72.36 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.018 0.437 . . . . 0.0 110.299 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.59 -30.02 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.587 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -89.43 -46.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 -178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.72 165.29 37.42 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.259 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.484 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 41.7 Cg_endo -68.18 122.81 9.9 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.563 2.176 . . . . 0.0 111.906 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.4 m -87.46 137.2 32.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.123 0.487 . . . . 0.0 111.054 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 64.3 tttp -94.17 -57.73 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.02 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' ND2' ' HG2' ' A' ' 34' ' ' LYS . 60.7 m-80 -137.0 127.07 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.06 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.434 ' SG ' HG22 ' A' ' 51' ' ' VAL . 57.5 m -122.6 104.65 9.49 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -101.7 137.65 39.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.832 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttt -113.14 101.84 9.82 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.009 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mm . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.586 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 C--O 1.235 0.332 0 CA-C-O 121.38 0.491 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.794 ' HA ' HD23 ' A' ' 14' ' ' LEU . 30.5 p90 -145.97 167.18 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.526 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.756 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -137.9 148.11 45.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.986 0.422 . . . . 0.0 111.63 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.6 110.9 22.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.544 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.671 HG13 ' HB2' ' A' ' 9' ' ' LEU . 3.6 p -113.12 111.87 37.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.351 0.596 . . . . 0.0 110.435 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HG2' HG21 ' A' ' 8' ' ' THR . 35.9 mt-10 -103.03 130.59 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.525 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.56 157.22 16.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.484 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 89.3 m-70 -79.47 -21.78 44.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.64 106.78 10.37 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.208 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -65.05 -32.25 73.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.518 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -66.51 -29.52 69.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.008 0.432 . . . . 0.0 110.325 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -86.18 -23.98 26.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.812 ' HB2' HD23 ' A' ' 9' ' ' LEU . . . -61.69 -33.51 74.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 110.346 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.498 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -40.12 81.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.86 93.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.443 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 3.1 tm? -54.7 -40.51 69.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.29 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.66 -59.36 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.347 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.0 -23.99 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -168.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.1 mmm -100.43 -4.19 29.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.457 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 26.4 t-20 -71.64 112.08 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.677 0.275 . . . . 0.0 110.856 -177.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.32 11.35 64.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.1 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.512 ' O ' HG21 ' A' ' 76' ' ' VAL . 24.9 ttt180 -80.26 140.17 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 110.753 -174.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -81.17 114.06 19.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.707 HD12 HG11 ' A' ' 76' ' ' VAL . 65.4 mt -120.76 119.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.141 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.3 mmt 66.51 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.92 12.33 1.1 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.887 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -136.5 142.78 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.914 0.387 . . . . 0.0 110.184 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.96 109.57 16.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.707 HG11 HD12 ' A' ' 71' ' ' ILE . 15.4 m -71.28 148.44 10.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.266 0.555 . . . . 0.0 110.797 -176.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 59.2 mtpt -124.15 133.84 53.47 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.993 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.541 HG22 HG21 ' A' ' 11' ' ' VAL . 41.9 t -123.49 110.21 25.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.52 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.23 146.54 47.74 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -73.22 107.7 5.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.309 0.576 . . . . 0.0 110.251 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.849 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.155 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.758 0.313 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.1 132.07 25.26 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.463 2.109 . . . . 0.0 112.387 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 98.1 mttt -94.08 9.26 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.42 . . . . 0.0 110.339 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.403 HG21 ' HG2' ' A' ' 52' ' ' GLU . 28.9 m -110.61 118.99 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 59' ' ' ALA . 3.9 mm? -92.95 133.37 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.516 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 64.4 t80 -102.78 96.95 7.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 57.3 t -100.13 118.19 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.432 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.42 171.88 15.07 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.471 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 t30 68.2 49.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 110.637 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD23 HG13 ' A' ' 18' ' ' VAL . 87.3 mt -85.52 130.9 34.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.84 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.445 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.2 t -92.06 166.66 12.55 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.876 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -75.08 -9.84 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.43 -17.17 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.764 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.445 HG23 ' HB3' ' A' ' 15' ' ' SER . 77.8 t -86.65 107.99 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.687 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -87.42 149.4 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.9 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.044 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.24 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.896 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' HE3' ' A' ' 72' ' ' MET . 2.6 tm? -85.38 -51.24 6.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.417 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -59.19 -57.04 13.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.285 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 36' ' ' CYS . 37.4 mt -60.79 -31.29 70.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.613 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.39 -46.95 68.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.616 ' HB3' ' HE2' ' A' ' 66' ' ' MET . 46.3 mt -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.119 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 59.0 m-85 -73.7 -34.87 65.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.474 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -65.45 -25.23 67.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.078 0.466 . . . . 0.0 110.602 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -71.33 -23.52 61.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.441 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.45 HG21 ' HB3' ' A' ' 62' ' ' ALA . 45.8 mm -93.57 -53.22 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.1 177.51 23.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.031 -176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -76.09 110.15 3.02 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.944 2.429 . . . . 0.0 112.246 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.37 129.52 37.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.654 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -89.32 -53.04 4.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.26 0.552 . . . . 0.0 110.159 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -162.27 144.96 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.422 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.564 ' HB2' HD23 ' A' ' 24' ' ' LEU . 43.7 t -109.16 127.01 53.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.32 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 34.0 tptt -110.94 130.36 55.61 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.53 107.43 11.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.715 -174.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo . . . . . 0 CA--C 1.518 -0.29 0 CA-C-O 120.879 0.283 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -124.05 150.58 44.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.381 0.61 . . . . 0.0 111.185 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -124.03 136.29 54.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.817 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.623 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 88.0 m-85 -96.0 107.9 20.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.835 174.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -101.45 105.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.045 0.45 . . . . 0.0 109.872 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG2' HG21 ' A' ' 8' ' ' THR . 35.8 mt-10 -93.01 129.39 38.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -176.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 53.5 m-85 -107.85 164.98 11.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.215 0.531 . . . . 0.0 110.839 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -92.42 -7.81 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.109 172.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.6 tm-20 -140.54 114.53 9.04 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.104 -166.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.45 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 83.4 t60 -79.0 -30.18 44.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.672 -175.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 32.0 ttt180 -62.35 -36.57 82.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 110.32 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -82.1 -33.19 29.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.189 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB3' HD22 ' A' ' 9' ' ' LEU . . . -59.37 -33.57 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.68 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.13 79.92 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.812 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.61 84.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.597 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' A' ' 30' ' ' ILE . . . -58.22 -42.47 86.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.757 HD11 HG11 ' A' ' 78' ' ' VAL . 7.3 tp -57.74 -55.07 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.92 79.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.958 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.03 -33.65 63.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.721 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.616 ' HE2' ' HB3' ' A' ' 26' ' ' LEU . 36.7 tpp -86.42 -40.96 14.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.543 -175.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.654 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.3 t30 -70.38 134.81 48.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.512 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 11.0 85.61 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.484 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -100.05 127.13 46.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.02 112.57 3.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.979 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.5 mt -135.44 125.53 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.931 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.553 ' HE3' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 58.99 26.27 14.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.071 0.463 . . . . 0.0 110.914 -178.176 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.25 70.14 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.442 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.755 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 9.5 mmpt? -116.19 160.46 20.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.274 0.559 . . . . 0.0 111.309 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -91.94 110.17 21.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.541 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.0 146.9 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.666 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttp -129.29 120.96 26.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.757 HG11 HD11 ' A' ' 63' ' ' LEU . 18.5 t -115.2 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.027 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -116.41 147.41 41.69 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.623 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -86.7 102.53 14.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.362 0.601 . . . . 0.0 109.693 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--O 1.235 0.328 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.952 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.9 mtm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.76 98.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.786 2.324 . . . . 0.0 112.053 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.452 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 31.1 ttmt -91.45 -4.48 55.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.501 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -108.82 131.37 55.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.967 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 59' ' ' ALA . 4.1 mm? -100.25 129.98 46.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.547 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.549 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 24.3 t80 -94.65 106.93 18.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.344 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 78' ' ' VAL . 45.0 t -111.23 122.53 65.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.23 -175.89 20.8 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.653 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.67 48.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.476 0.71 . . . . 0.0 111.248 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 48' ' ' TYR . 4.5 mm? -91.57 171.64 9.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.697 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.74 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.8 t -139.24 147.54 41.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -65.07 -13.44 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.407 ' CG ' ' HG ' ' A' ' 15' ' ' SER . 0.9 OUTLIER -99.88 8.07 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 178.144 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.74 HG23 ' HB3' ' A' ' 15' ' ' SER . 93.3 t -95.94 116.07 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -75.13 144.12 42.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.586 0.708 . . . . 0.0 111.102 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' CD ' ' HG ' ' A' ' 36' ' ' CYS . 40.7 tt0 -64.85 -31.1 72.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.625 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.56 71.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.175 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -72.87 -56.47 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.397 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.79 -46.57 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.93 -32.14 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.413 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.41 -46.0 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.632 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.79 -49.67 72.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 92.9 m-85 -74.68 -31.92 62.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.5 t -65.1 -29.11 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.186 0.517 . . . . 0.0 110.271 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.83 -18.55 62.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 62' ' ' ALA . 45.2 mm -99.38 -52.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.63 169.36 24.63 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.717 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.85 116.25 4.36 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.041 2.494 . . . . 0.0 112.148 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.02 137.75 45.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.25 0.548 . . . . 0.0 111.048 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -106.14 -55.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.811 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -156.45 158.85 38.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.449 ' HG ' ' CD ' ' A' ' 20' ' ' GLU . 8.5 p -138.24 117.14 12.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.966 0.412 . . . . 0.0 110.841 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.811 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 30.4 mmmt -101.12 106.98 18.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 ptm -92.18 99.09 11.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.488 0.661 . . . . 0.0 110.856 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.234 -177.649 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.462 -0.382 0 CA-C-O 121.016 0.34 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.539 ' HA ' HD21 ' A' ' 14' ' ' LEU . 22.1 p90 -153.65 166.53 32.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.319 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.44 140.93 46.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.811 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 76.1 m-85 -100.66 105.44 16.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.924 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.574 HG23 ' HB2' ' A' ' 9' ' ' LEU . 14.4 m -101.36 121.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.193 0.521 . . . . 0.0 110.57 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -100.74 137.9 38.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.89 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 38.0 m-85 -106.3 175.6 5.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.696 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -99.64 -12.36 20.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.477 0.656 . . . . 0.0 109.246 170.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.49 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.4 tm-20 -135.88 120.36 18.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.156 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -76.7 -33.78 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.658 -173.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.3 ttt180 -65.43 -36.53 84.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.236 0.541 . . . . 0.0 110.263 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -73.81 -34.2 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.809 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.818 ' HB3' HD23 ' A' ' 9' ' ' LEU . . . -62.75 -33.11 74.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.607 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.01 -50.5 68.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.9 92.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -59.42 -46.01 89.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.49 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HG12 ' A' ' 78' ' ' VAL . 4.1 tt -63.1 -43.98 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.794 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.27 72.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.82 -35.11 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.1 mmm -87.82 -23.5 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.58 110.72 4.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.16 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.84 10.26 56.61 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.167 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' HG21 ' A' ' 76' ' ' VAL . 18.1 tpt180 -78.22 166.32 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -119.6 107.17 12.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 HD13 HG13 ' A' ' 76' ' ' VAL . 3.4 mp -117.79 124.18 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.423 ' HG3' HG21 ' A' ' 18' ' ' VAL . 9.7 mmt 63.63 18.38 11.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.357 0.411 . . . . 0.0 111.335 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.89 -4.42 85.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 13.4 mptt -90.3 138.16 31.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 69' ' ' ARG . 16.8 m -86.13 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.189 0.519 . . . . 0.0 110.333 -175.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.8 mttp -127.08 122.12 33.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.954 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 11' ' ' VAL . 28.5 t -113.84 123.42 69.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.143 -176.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -136.84 154.37 50.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.821 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.474 ' CD1' HD11 ' A' ' 63' ' ' LEU . 21.6 m0 -69.67 119.4 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.361 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 80' ' ' TRP . 15.4 Cg_exo -69.46 120.98 7.74 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.965 2.443 . . . . 0.0 112.824 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -86.38 -15.05 41.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -94.48 125.65 39.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.079 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.792 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.0 mm? -94.1 139.11 31.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.058 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.479 ' HD2' ' CE2' ' A' ' 50' ' ' PHE . 79.3 t80 -105.15 96.36 6.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.083 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.68 HG22 HG22 ' A' ' 78' ' ' VAL . 39.0 t -99.45 112.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.252 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.14 21.22 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.962 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 69.62 32.66 3.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.146 0.557 . . . . 0.0 111.36 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.589 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 57.0 mt -72.38 154.21 41.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.914 0.388 . . . . 0.0 109.962 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.613 ' OG ' ' HD3' ' A' ' 74' ' ' LYS . 3.5 m -122.27 172.92 7.95 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.59 -23.36 63.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.689 0.757 . . . . 0.0 108.963 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.634 ' HB3' ' HE1' ' A' ' 72' ' ' MET . 6.1 m-20 -74.31 -18.15 60.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.037 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG13 HD22 ' A' ' 14' ' ' LEU . 57.3 t -85.68 130.37 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -106.95 144.91 32.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.36 -37.77 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.935 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.405 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 26' ' ' LEU . 48.4 tp -71.16 -52.05 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.547 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.84 -51.7 49.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.68 -29.99 70.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.434 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -65.67 -43.0 90.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.023 0.439 . . . . 0.0 110.281 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -58.37 -46.83 85.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.978 177.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' HD2' ' HB3' ' A' ' 62' ' ' ALA . 61.2 m-85 -73.29 -35.1 66.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.63 -24.57 67.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.37 -24.05 63.83 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.562 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.5 -49.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.51 158.21 28.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.617 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.7 124.69 8.96 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.979 2.452 . . . . 0.0 112.637 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -97.97 146.02 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.857 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.682 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 41.2 pttt -102.03 -31.11 10.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.852 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -151.53 148.69 28.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.588 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.7 p -132.03 112.69 12.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.25 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 mmmm -89.91 106.65 18.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.204 0.526 . . . . 0.0 110.139 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 95.0 mmm -91.44 98.7 11.84 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.887 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.479 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 45.3 mm . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.282 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.589 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 20.5 Cg_exo . . . . . 0 C--O 1.235 0.357 0 CA-C-O 121.163 0.401 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 19.0 p90 -135.34 147.15 49.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.2 t -120.2 136.37 54.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.881 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 79.5 m-85 -103.66 115.54 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.15 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.504 HG22 ' HB2' ' A' ' 9' ' ' LEU . 15.0 m -115.03 123.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.887 0.375 . . . . 0.0 111.005 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -98.2 120.43 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 22.7 m-85 -87.79 158.14 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.748 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.682 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 80.0 m-70 -86.24 -8.6 57.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.286 173.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -139.03 114.81 10.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.45 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -66.31 -30.13 70.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.71 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -63.96 -34.76 78.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -85.27 -28.61 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.293 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.792 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -60.25 -40.1 89.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.272 174.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.84 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.589 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.04 88.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.726 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB3' ' HD2' ' A' ' 27' ' ' PHE . . . -63.92 -37.6 88.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.595 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.438 HD12 ' HD1' ' A' ' 80' ' ' TRP . 9.9 tt -59.51 -51.19 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.244 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.13 86.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.02 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.32 -33.34 49.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.4 ' HB3' HG23 ' A' ' 78' ' ' VAL . 13.6 tpt -91.54 -25.56 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.658 0.266 . . . . 0.0 111.353 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -61.65 110.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 10.13 51.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.119 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 11.5 tpt180 -71.64 152.64 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.607 ' HD3' ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.59 127.17 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.553 HG22 ' HG2' ' A' ' 72' ' ' MET . 44.4 mt -138.41 117.76 14.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.634 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 93.0 mmm 69.04 -5.03 1.11 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.746 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.56 -9.39 6.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.9 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.613 ' HD3' ' OG ' ' A' ' 15' ' ' SER . 28.5 mtpp -117.28 166.66 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -96.03 120.43 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.396 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.514 HG12 HD11 ' A' ' 71' ' ' ILE . 17.4 m -81.07 139.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.0 mttm -123.88 118.38 26.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.256 0.551 . . . . 0.0 110.785 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.68 HG22 HG22 ' A' ' 11' ' ' VAL . 43.8 t -109.31 107.22 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.536 -176.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -110.39 -176.99 3.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.515 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . 10.0 p-90 -111.16 133.82 53.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.832 0.349 . . . . 0.0 110.225 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.987 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.423 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 66.4 mtt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 5' ' ' MET . 14.3 Cg_endo -56.35 109.8 0.49 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.214 2.609 . . . . 0.0 113.144 -173.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.46 -10.17 25.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -112.24 132.71 54.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.876 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.591 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -95.8 127.69 42.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 34.3 t80 -90.8 97.19 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.733 HG23 ' HZ ' ' A' ' 27' ' ' PHE . 43.7 t -114.63 112.83 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 111.56 -175.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -108.31 127.66 8.75 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.66 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 8.0 p30 177.87 -7.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.638 0.257 . . . . 0.0 110.61 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.616 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 89.6 mt -55.93 140.37 43.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.389 0.614 . . . . 0.0 111.619 -170.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 m -147.3 178.89 8.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.357 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -55.38 -46.63 76.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.69 14.04 9.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.87 130.75 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 22' ' ' LEU . 4.0 t -118.62 153.77 33.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -53.67 -48.31 69.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.729 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -36.91 71.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.584 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.502 ' O ' HD22 ' A' ' 26' ' ' LEU . 60.9 tp -66.51 -53.99 28.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.057 0.456 . . . . 0.0 110.109 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.68 -49.08 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.291 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -64.68 -33.42 75.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.333 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -64.55 -40.46 95.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 0.0 110.032 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.0 mm? -63.57 -29.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.245 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.733 ' HZ ' HG23 ' A' ' 11' ' ' VAL . 55.6 m-85 -87.25 -28.22 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.478 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -71.42 -20.19 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.007 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 3.4 pt20 -75.61 -11.97 60.12 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.03 -50.7 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.26 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.42 161.47 30.14 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.07 116.5 4.03 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.861 2.374 . . . . 0.0 112.209 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -77.47 136.66 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -100.31 -47.48 4.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.59 153.56 34.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.212 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.443 ' HB3' HD21 ' A' ' 24' ' ' LEU . 12.0 p -128.67 125.69 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.482 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.918 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.2 mmmt -111.06 106.19 15.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 ttt -88.7 114.1 24.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.908 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.234 0.54 . . . . 0.0 110.079 178.827 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.616 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.6 Cg_exo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 121.229 0.429 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.506 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 15.9 p90 -129.26 162.68 27.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.031 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HB2' HD13 ' A' ' 14' ' ' LEU . 42.6 t -134.07 139.31 45.89 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.366 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.918 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 89.9 m-85 -95.53 133.48 39.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.404 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.48 121.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.999 0.428 . . . . 0.0 111.036 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.07 130.49 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.602 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 14.6 m-85 -102.04 145.52 29.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.921 0.391 . . . . 0.0 110.611 176.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.117 174.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -125.4 109.83 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.669 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.64 -32.57 69.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.372 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 57' ' ' ARG . 40.1 mtp180 -67.57 -36.27 80.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -79.36 -21.23 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.327 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.94 -32.63 74.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.472 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.734 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -64.81 -46.34 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.122 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.92 88.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.735 HD12 HG13 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -61.12 -57.29 13.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.725 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.52 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.907 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 -33.19 61.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.59 ' HB3' HG23 ' A' ' 78' ' ' VAL . 42.7 tpp -92.05 -39.48 11.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.716 -174.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.697 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.0 t30 -63.98 125.38 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 111.099 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.17 66.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.48 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.587 ' O ' HG21 ' A' ' 76' ' ' VAL . 72.9 ttt180 -79.57 156.61 27.64 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -105.03 119.24 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 0.0 110.113 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.468 HD11 HG12 ' A' ' 76' ' ' VAL . 71.7 mt -137.49 126.77 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.017 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.439 ' HG2' HG23 ' A' ' 71' ' ' ILE . 25.7 mmt 62.75 23.71 14.13 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.513 0.508 . . . . 0.0 110.564 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.57 2.94 57.15 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.6 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -105.48 167.02 10.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.415 . . . . 0.0 110.737 -176.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.36 111.74 23.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.513 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.66 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 11.8 m -84.78 134.51 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.676 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.4 mtmm -126.51 134.01 51.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.735 HG13 HD12 ' A' ' 63' ' ' LEU . 26.2 t -128.75 109.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.246 0.546 . . . . 0.0 109.98 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -120.85 157.57 29.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.422 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.734 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.7 m95 -77.59 112.97 14.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.65 0.262 . . . . 0.0 110.515 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.269 0.557 . . . . 0.0 109.652 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.608 0.242 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 45.9 Cg_endo -70.52 140.44 39.82 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.509 2.14 . . . . 0.0 112.538 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -116.46 9.37 14.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 109.857 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.532 ' HG1' ' HG2' ' A' ' 52' ' ' GLU . 12.1 m -112.32 128.82 56.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.365 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.29 123.28 39.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.965 0.412 . . . . 0.0 109.946 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.706 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.2 t80 -96.67 98.54 10.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 78' ' ' VAL . 59.2 t -98.77 112.51 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.05 167.07 12.59 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.272 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.1 m120 74.35 54.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.398 0.679 . . . . 0.0 111.776 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 49' ' ' CYS . 85.1 mt -82.76 -176.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 177.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.763 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 46.3 t -148.37 162.98 38.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.562 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -16.53 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 109.857 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -78.18 -21.98 49.32 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.192 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 15' ' ' SER . 74.2 t -82.97 139.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.371 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -126.7 149.07 49.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.158 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -25.81 65.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.837 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.19 -51.69 6.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.879 0.371 . . . . 0.0 110.592 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.57 -48.87 84.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.111 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -65.85 -29.09 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.471 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.08 -46.6 83.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.266 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.15 -45.67 92.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.686 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -67.83 -36.63 80.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -63.99 -26.7 68.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.228 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.43 -20.14 60.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 58' ' ' HIS . 35.8 mm -101.04 -51.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.377 -177.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.6 158.34 27.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.447 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 55' ' ' GLU . 35.4 Cg_exo -61.16 119.53 6.73 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.156 2.57 . . . . 0.0 111.956 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.3 m -80.34 135.38 36.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.702 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.09 -46.49 10.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.445 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -165.29 167.19 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.447 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.691 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.6 p -137.63 124.45 21.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.157 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -125.95 105.66 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.034 0.445 . . . . 0.0 110.805 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 61.7 mtm -90.93 109.5 20.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.866 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo . . . . . 0 N--CA 1.473 0.312 0 N-CA-C 113.833 0.666 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -140.99 165.46 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.631 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.515 ' HB2' HD12 ' A' ' 14' ' ' LEU . 43.3 t -136.39 142.46 43.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.198 0.523 . . . . 0.0 111.28 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -100.86 119.22 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.999 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -123.79 114.91 43.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.532 ' HG2' ' HG1' ' A' ' 8' ' ' THR . 43.4 mt-10 -99.36 146.02 26.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.87 0.367 . . . . 0.0 111.069 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' H ' ' A' ' 55' ' ' GLU . 3.8 m-85 -113.65 152.59 30.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.69 -7.59 58.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HG3' ' HD1' ' A' ' 58' ' ' HIS . 49.4 mm-40 -118.16 97.32 5.74 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.981 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -65.87 -30.12 70.67 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -67.14 -46.36 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.784 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.505 ' HB3' HG22 ' A' ' 30' ' ' ILE . 23.4 m80 -79.41 -16.89 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.491 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.18 74.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.45 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.8 85.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.02 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.12 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.918 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.32 89.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.473 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HA ' HG11 ' A' ' 78' ' ' VAL . 10.3 tt -61.87 -53.05 61.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.562 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.6 -14.69 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ttt -116.59 -29.1 6.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.713 -0.395 . . . . 0.0 112.037 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 114.96 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 0.0 111.646 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.02 10.04 63.08 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.87 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 76' ' ' VAL . 74.4 ttt180 -93.15 132.26 37.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 70' ' ' LYS . 2.7 ttmp? -79.41 121.12 24.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.253 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -128.63 115.98 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 mmt 59.99 43.95 13.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.245 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.8 -35.97 3.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.642 174.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.763 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 10.8 mmmm -95.13 148.64 22.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 111.737 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.37 109.62 20.14 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.796 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 69' ' ' ARG . 16.4 m -75.0 145.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.266 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 65.6 mttm -126.93 116.01 20.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.887 0.375 . . . . 0.0 110.282 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 11' ' ' VAL . 36.1 t -104.11 114.98 45.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.5 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -120.46 159.22 25.59 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.063 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.416 ' CE3' ' HG2' ' A' ' 6' ' ' PRO . 99.4 m95 -78.83 102.37 8.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 175.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.187 0.518 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.536 ' HG2' ' HE3' ' A' ' 80' ' ' TRP . 11.2 Cg_exo -71.21 127.43 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.63 2.22 . . . . 0.0 111.527 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 32.6 ttmt -97.89 4.91 49.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.69 0.757 . . . . 0.0 109.4 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.507 ' HG1' ' HG2' ' A' ' 52' ' ' GLU . 88.7 m -115.76 124.28 50.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.31 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 59' ' ' ALA . 3.5 mm? -98.01 143.45 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.523 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.623 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 40.5 t80 -115.77 112.84 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.78 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 1.6 m -117.01 142.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.549 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.12 179.69 16.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.859 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 75' ' ' GLU . 61.9 t30 65.48 58.6 0.82 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 110.64 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.2 mm? -98.1 -177.38 3.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.605 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.409 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 27.9 t -148.62 148.65 30.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.561 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -7.45 17.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.845 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.71 -26.28 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 109.983 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG11 HD23 ' A' ' 22' ' ' LEU . 42.4 t -74.73 141.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.295 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -120.43 158.94 26.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.562 -174.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.24 -46.8 76.03 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.73 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.32 -25.8 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.689 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 HG11 ' A' ' 18' ' ' VAL . 60.0 tp -80.27 -50.63 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.207 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.501 HD13 HG13 ' A' ' 18' ' ' VAL . 38.0 mm -57.95 -53.56 43.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.372 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.47 -47.97 82.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.535 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -62.32 -40.73 97.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.134 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 34.3 mt -56.42 -47.57 78.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.594 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 91.3 m-85 -78.66 -30.38 46.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.209 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.4 m -65.22 -26.73 68.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.154 0.502 . . . . 0.0 110.452 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.13 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.327 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.81 -52.86 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.82 165.99 26.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.933 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.97 120.01 7.16 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.813 2.342 . . . . 0.0 112.242 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -78.44 128.45 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.654 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -88.39 -51.19 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -170.96 153.92 4.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.933 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -136.1 108.16 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.94 0.4 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -95.07 106.72 18.74 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.242 0.544 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' MET . 1.1 pmm? -87.36 102.37 14.45 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.52 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.2 mm . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.744 -178.2 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.652 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.6 Cg_endo . . . . . 0 CA--C 1.531 0.371 0 N-CA-C 114.542 0.939 . . . . 0.0 114.542 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.79 ' HA ' HD23 ' A' ' 14' ' ' LEU . 11.9 p90 -144.2 154.49 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.43 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -121.81 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.115 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -97.93 117.16 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.247 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 9' ' ' LEU . 46.1 t -113.24 114.25 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 -177.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HG2' ' HG1' ' A' ' 8' ' ' THR . 49.1 mt-10 -103.87 128.75 51.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.594 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 59.5 m-85 -105.67 174.77 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.23 -7.72 24.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.4 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -139.67 119.11 12.96 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.448 -170.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -77.75 -34.83 52.28 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -172.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -70.4 -26.06 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.343 0.592 . . . . 0.0 109.811 -177.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -83.01 -35.0 26.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.764 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -59.36 -39.92 84.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.426 175.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.09 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.284 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.04 72.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.3 79.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.401 HD13 ' HD1' ' A' ' 80' ' ' TRP . 9.3 tt -54.98 -58.53 7.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.497 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.88 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.779 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -31.08 41.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.862 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.28 -24.06 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -62.11 121.1 12.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.138 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.43 9.3 60.39 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.756 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.7 ttt180 -85.74 128.26 34.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 0.0 110.123 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.55 125.72 34.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.341 0.591 . . . . 0.0 110.454 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.548 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.4 mt -125.82 119.05 53.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.889 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.548 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 69.07 -74.59 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.877 0.735 . . . . 0.0 110.795 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.09 10.17 0.46 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.152 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 67.8 mmtt -123.99 161.41 25.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 110.741 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' ASN . 37.3 tt0 -117.21 108.0 15.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.817 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 69' ' ' ARG . 18.2 m -75.25 146.22 9.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 -174.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.78 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 85.1 mttt -132.09 107.07 8.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.419 HG11 HG13 ' A' ' 11' ' ' VAL . 25.1 t -97.81 105.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.103 -176.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -115.78 149.71 38.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.536 ' HE3' ' HG2' ' A' ' 6' ' ' PRO . 2.7 p-90 -79.88 104.75 10.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.121 0.486 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.94 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.95 98.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.523 2.149 . . . . 0.0 111.463 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.77 -12.25 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.875 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.8 m -105.66 131.21 53.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.659 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.801 HD12 HD21 ' A' ' 63' ' ' LEU . 2.9 mm? -97.89 124.63 42.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.811 0.339 . . . . 0.0 110.144 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -91.19 100.89 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.769 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.691 HG22 HG21 ' A' ' 78' ' ' VAL . 41.1 t -103.7 117.49 49.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.33 172.38 14.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.501 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m120 66.44 64.13 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.582 0.706 . . . . 0.0 110.673 -176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 48' ' ' TYR . 4.4 mm? -98.31 -169.51 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.979 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -148.17 164.3 34.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.775 0.321 . . . . 0.0 110.524 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.0 mpt_? -77.29 -13.82 59.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.187 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -98.06 7.78 45.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.449 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG11 HD22 ' A' ' 22' ' ' LEU . 62.0 t -104.92 115.12 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.502 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.627 HG21 ' H ' ' A' ' 22' ' ' LEU . 9.5 t -96.06 159.3 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.41 -50.02 66.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.74 70.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.627 ' H ' HG21 ' A' ' 19' ' ' THR . 51.9 tp -67.12 -52.63 39.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.033 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -56.72 -46.72 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.592 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.48 -49.57 72.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.25 -41.98 94.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 0.0 111.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.531 HD11 ' HE3' ' A' ' 66' ' ' MET . 3.8 mm? -63.29 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.701 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 67.9 m-85 -86.45 -32.54 20.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -57.25 -36.29 70.78 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.884 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.53 -19.61 64.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.327 . . . . 0.0 111.307 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 62' ' ' ALA . 39.9 mm -91.51 -48.36 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.35 0.595 . . . . 0.0 109.537 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.472 ' HA3' ' CD2' ' A' ' 58' ' ' HIS . . . -158.31 155.82 26.82 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.054 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 17.3 Cg_exo -69.04 123.79 10.7 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.797 2.331 . . . . 0.0 112.722 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 p -104.53 141.51 36.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.757 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 22.6 tptm -113.15 -33.19 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -128.12 147.95 50.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.464 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.36 124.23 9.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.098 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -122.45 105.72 10.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.495 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.46 104.56 16.6 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.396 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.5 mm . . . . . 0 C--N 1.32 -0.694 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.563 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.2 Cg_endo . . . . . 0 C--O 1.231 0.143 0 N-CA-C 114.494 0.921 . . . . 0.0 114.494 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.677 ' HA ' HD22 ' A' ' 14' ' ' LEU . 13.8 p90 -138.05 157.37 46.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.713 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -132.79 139.67 47.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.091 0.472 . . . . 0.0 111.453 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.03 114.6 28.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.204 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 m -113.63 133.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.738 0.304 . . . . 0.0 110.838 176.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -108.58 130.37 55.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.174 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.9 m-85 -105.18 157.48 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.541 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 98.8 m-70 -86.36 -10.66 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.552 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -136.77 120.22 16.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.307 -175.149 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -68.33 -27.94 66.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.253 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 59.9 ttt180 -64.46 -51.18 64.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.457 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.472 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.7 p-80 -90.76 -6.59 54.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.725 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.56 99.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.35 83.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.667 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 58' ' ' HIS . . . -57.22 -48.49 78.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.123 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -64.52 -38.6 91.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.801 HD21 HD12 ' A' ' 9' ' ' LEU . 1.8 tm? -51.47 -58.44 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.113 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.82 71.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.938 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.531 ' HE3' HD11 ' A' ' 26' ' ' LEU . 40.8 tpp -87.63 -26.78 22.87 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.424 -174.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.15 117.92 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.144 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 10.04 57.63 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.948 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 5.0 tpp180 -81.17 159.43 24.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 44.2 tptt -108.26 85.48 2.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.609 HD12 HG12 ' A' ' 76' ' ' VAL . 66.7 mt -92.62 109.24 21.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.174 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.0 mmt 67.88 -74.73 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.031 0.832 . . . . 0.0 111.487 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.06 33.7 0.17 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.235 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.94 141.85 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -75.27 109.67 8.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.822 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 71' ' ' ILE . 24.2 m -93.59 138.03 21.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.457 0.646 . . . . 0.0 111.16 -175.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.6 mttm -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.858 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.729 HG12 HD22 ' A' ' 63' ' ' LEU . 14.4 t -120.87 109.89 26.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.824 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.63 170.72 9.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.333 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -71.25 129.21 38.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.832 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.161 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.09 -18.5 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.094 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.87 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -83.78 11.82 6.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.115 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt -119.19 75.69 15.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.231 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.776 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 65.4 Cg_endo -77.32 144.91 23.54 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.979 2.453 . . . . 0.0 113.617 -175.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -104.27 3.17 32.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.993 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.512 ' HG1' ' HG2' ' A' ' 52' ' ' GLU . 10.6 m -98.92 124.34 43.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.06 178.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.629 ' HB2' HG21 ' A' ' 51' ' ' VAL . 3.5 mm? -99.37 130.64 45.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.899 0.381 . . . . 0.0 110.365 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.866 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 57.0 t80 -99.05 92.92 5.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.573 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.606 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 21.2 t -98.44 115.83 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.239 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.451 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.12 -173.07 21.06 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.399 176.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' HB2' ' HA ' ' A' ' 76' ' ' VAL . 4.8 m-20 72.8 30.8 1.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.783 0.433 . . . . 0.0 111.169 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -83.02 172.6 12.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.266 0.555 . . . . 0.0 111.569 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.93 ' HB2' ' HD2' ' A' ' 74' ' ' LYS . 24.8 t -141.95 152.38 43.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.192 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -16.16 63.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.035 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.46 -5.31 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.673 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 15' ' ' SER . 47.6 t -85.75 98.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 174.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.2 t -69.15 143.28 54.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.73 0.776 . . . . 0.0 111.459 -173.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.42 -28.52 70.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.46 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' H ' HG23 ' A' ' 19' ' ' THR . 61.1 tp -73.62 -48.26 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.511 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.09 -48.36 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.893 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD21 ' HB2' ' A' ' 36' ' ' CYS . 2.7 mm? -58.98 -44.27 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.07 -41.8 88.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.801 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.56 -41.02 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.316 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 62.0 m-85 -77.38 -34.34 54.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.446 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -66.78 -17.32 64.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.281 0.562 . . . . 0.0 110.731 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -77.65 -14.54 59.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.412 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.5 mm -105.37 -52.42 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.32 169.83 30.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.596 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.76 108.31 2.05 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.675 2.25 . . . . 0.0 111.491 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -74.23 136.1 42.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -99.06 -44.84 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.719 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -147.75 154.46 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.709 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.405 ' HB2' HD21 ' A' ' 24' ' ' LEU . 5.7 p -154.81 118.99 4.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.131 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -129.1 108.93 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.034 0.445 . . . . 0.0 111.546 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 ttt -87.45 108.59 19.08 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.19 94.26 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.2 0.524 . . . . 0.0 110.787 -174.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.3 ptm -72.36 98.64 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.406 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.6 143.14 42.48 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.122 0.963 . . . . 0.0 111.764 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.7 m -102.44 -23.71 13.9 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.993 -174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.82 -20.45 18.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -166.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.4 42.27 1.39 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.867 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -103.17 -170.23 1.76 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 22.5 t70 -86.04 115.53 62.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 10.9 Cg_exo -70.57 139.35 37.21 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.626 2.217 . . . . 0.0 112.132 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.468 ' HA ' HD22 ' A' ' 14' ' ' LEU . 19.9 p90 -139.78 164.52 29.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -133.22 140.53 47.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.78 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -103.62 108.75 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.939 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.629 HG21 ' HB2' ' A' ' 9' ' ' LEU . 12.3 m -113.43 122.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.11 0.481 . . . . 0.0 110.583 177.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HG2' ' HG1' ' A' ' 8' ' ' THR . 42.3 mt-10 -108.4 137.01 47.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 65.0 m-85 -106.02 159.68 15.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 110.675 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -80.47 -11.25 59.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.03 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.584 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -139.99 110.23 6.57 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.838 -169.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -64.65 -34.31 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.392 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.584 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.6 ttt180 -69.11 -26.3 64.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.34 0.59 . . . . 0.0 110.545 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 55' ' ' GLU . 22.2 m80 -83.68 -35.02 24.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.426 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.58 -34.9 73.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.226 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.86 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.576 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.08 62.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.175 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.59 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.705 HD11 HG13 ' A' ' 78' ' ' VAL . 4.8 tp -54.87 -61.4 2.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.499 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.23 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.022 -174.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.25 -23.34 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.53 ' HB2' HG21 ' A' ' 78' ' ' VAL . 22.2 mmt -113.86 -24.46 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.0 t30 -66.01 124.76 23.42 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.125 -0.359 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.79 10.09 84.63 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.101 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.467 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.0 ttt180 -80.51 135.13 36.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -89.45 118.51 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.141 0.496 . . . . 0.0 109.95 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.492 HG23 ' HG2' ' A' ' 72' ' ' MET . 65.7 mt -126.47 125.51 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.067 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.492 ' HG2' HG23 ' A' ' 71' ' ' ILE . 26.5 mmt 66.71 -77.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 110.932 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.26 22.51 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.087 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.93 ' HD2' ' HB2' ' A' ' 15' ' ' SER . 59.6 mttm -139.37 155.27 47.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.764 0.316 . . . . 0.0 110.986 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.66 109.99 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.472 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . 17.0 m -79.02 163.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 111.475 -174.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.606 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 21.6 mmmt -136.12 116.99 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.166 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.705 HG13 HD11 ' A' ' 63' ' ' LEU . 43.9 t -102.04 111.75 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.952 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -113.84 166.78 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.79 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -84.07 116.11 22.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.341 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.866 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -100.51 104.49 15.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.776 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -54.36 130.96 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.522 0.514 . . . . 0.0 111.163 -174.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -102.07 107.11 51.36 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.41 124.35 6.43 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.689 2.259 . . . . 0.0 111.784 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 p -73.72 -26.18 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.62 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 t -168.59 175.78 6.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.795 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 61.79 90.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 112.19 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -113.16 119.57 38.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.67 -12.48 21.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 0.0 109.925 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.54 130.29 40.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.333 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -65.88 -32.1 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.642 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.847 175.096 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.482 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.2 mp0 -62.25 -21.22 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.696 0.76 . . . . 0.0 109.104 174.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -21.78 66.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.77 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -96.64 -41.52 8.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -124.27 84.12 56.24 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.5 0.666 . . . . 0.0 110.459 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.668 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 66.1 Cg_endo -76.9 -44.81 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.941 2.427 . . . . 0.0 114.792 -172.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.449 ' HG3' ' HA ' ' A' ' 56' ' ' HIS . 42.0 ttmt 79.72 -26.12 0.17 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 110.873 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -80.05 137.48 36.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.63 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.694 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.2 mm? -105.07 139.09 40.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.229 0.538 . . . . 0.0 110.849 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.739 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 84.4 t80 -104.9 100.7 10.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.512 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.678 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.5 t -100.15 113.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 179.01 19.94 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.35 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.603 ' HA ' ' OD1' ' A' ' 46' ' ' ASP . 9.5 m120 67.74 47.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.478 0.711 . . . . 0.0 111.232 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 49' ' ' CYS . 48.6 mt -83.84 149.7 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.232 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -124.38 170.63 10.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -71.26 -12.42 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.432 0.634 . . . . 0.0 109.627 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -81.24 -14.43 57.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.055 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG12 HD23 ' A' ' 14' ' ' LEU . 58.3 t -93.02 122.65 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -100.74 144.44 29.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.858 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -55.38 -40.72 71.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.905 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.74 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.1 tp -75.8 -50.36 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -57.0 -50.45 76.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.777 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.85 -49.11 69.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.899 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.32 -42.52 99.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.822 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 36.7 mt -59.24 -49.62 77.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.86 0.362 . . . . 0.0 111.381 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 83.9 m-85 -74.83 -30.51 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.598 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -63.85 -29.15 70.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 110.599 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.59 -32.95 74.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' HA ' ' A' ' 62' ' ' ALA . 38.2 mm -86.1 -52.95 11.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.9 169.45 28.0 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.585 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.08 112.35 3.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.031 2.488 . . . . 0.0 111.402 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 p -79.46 127.31 31.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.75 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.512 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 38.2 ttpt -82.16 -34.51 29.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.935 -177.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -171.86 147.75 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.414 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HG ' HG12 ' A' ' 51' ' ' VAL . 79.1 m -136.93 132.12 33.99 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.708 ' HE3' HD12 ' A' ' 39' ' ' ILE . 37.5 ttpt -131.1 145.96 52.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -109.98 126.02 53.49 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.695 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.708 HD12 ' HE3' ' A' ' 37' ' ' LYS . 23.7 mm -117.68 102.81 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.893 0.378 . . . . 0.0 110.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.46 124.47 52.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -84.06 -164.84 1.0 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.5 p -70.25 9.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -173.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 78.24 145.6 0.09 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.579 0.752 . . . . 0.0 110.62 -177.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.77 44.25 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -172.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -110.54 151.15 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.603 ' OD1' ' HA ' ' A' ' 13' ' ' ASN . 36.9 t70 -71.44 119.96 76.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.241 -171.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.485 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 4.5 Cg_exo -76.3 146.22 27.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.0 111.771 175.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.04 161.56 38.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.13 0.49 . . . . 0.0 111.472 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.542 ' HB2' HD11 ' A' ' 14' ' ' LEU . 40.7 t -124.61 138.76 54.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.418 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -103.62 111.93 24.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.155 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.631 HG21 ' HB2' ' A' ' 9' ' ' LEU . 13.4 m -110.08 117.92 55.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.533 0.683 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 3.7 mm-40 -96.9 137.97 35.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.16 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 64.1 m-85 -114.79 167.54 10.68 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -86.01 -37.62 18.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.69 136.0 45.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.673 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.449 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 17.3 t60 -76.7 -30.56 56.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.666 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.06 -40.62 82.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 111.654 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -72.6 -18.46 61.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.116 0.484 . . . . 0.0 110.186 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.02 -34.56 78.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.23 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.22 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.9 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.59 84.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.505 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.436 ' HA ' HG13 ' A' ' 30' ' ' ILE . . . -66.3 -37.98 86.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.394 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.802 HD13 HG13 ' A' ' 78' ' ' VAL . 5.5 tp -54.28 -61.4 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.474 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 -22.54 65.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.813 -172.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.32 -15.39 29.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.504 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.44 -35.47 5.26 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.342 -173.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.665 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 36.5 p30 -70.68 146.95 49.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 111.665 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.47 9.64 84.55 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.263 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.518 ' O ' HG21 ' A' ' 76' ' ' VAL . 33.5 ttt180 -94.85 132.28 39.83 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -91.64 118.12 30.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.042 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.683 HG21 ' HG2' ' A' ' 72' ' ' MET . 68.4 mt -126.83 125.98 67.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.683 ' HG2' HG21 ' A' ' 71' ' ' ILE . 24.5 mmt 72.99 -50.45 0.71 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 111.288 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.01 26.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -142.22 139.94 32.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 110.25 18.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.518 HG21 ' O ' ' A' ' 69' ' ' ARG . 19.2 m -76.0 160.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.309 0.576 . . . . 0.0 111.931 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 mmtt -127.79 132.82 49.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.206 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.802 HG13 HD13 ' A' ' 63' ' ' LEU . 20.8 t -129.22 104.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -118.38 177.2 4.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.499 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -89.96 115.43 27.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.824 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -88.25 100.08 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.668 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 25.5 p -87.01 -162.95 0.84 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.265 0.555 . . . . 0.0 111.719 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 p -59.58 147.17 78.22 Favored Pre-proline 0 N--CA 1.447 -0.58 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.357 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.07 131.01 29.04 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.504 2.136 . . . . 0.0 112.012 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.623 ' HA ' ' HG3' ' A' ' 88' ' ' LYS . 51.0 m 63.01 48.41 3.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.536 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.6 p -107.33 -67.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -90.5 25.37 2.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.169 0.509 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.623 ' HG3' ' HA ' ' A' ' 85' ' ' SER . 30.5 mmmt -70.73 124.38 24.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.67 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -119.37 45.71 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 -177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.63 101.59 9.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.599 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -72.19 93.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.638 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.338 178.146 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.71 -27.26 60.31 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-O 121.426 0.631 . . . . 0.0 110.079 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.56 -23.27 67.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.601 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -86.76 -22.78 25.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.187 0.518 . . . . 0.0 110.581 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.2 mmt -121.33 72.83 27.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.535 ' HD2' ' HE1' ' A' ' 56' ' ' HIS . 73.3 Cg_exo -51.96 -53.94 6.13 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.265 2.643 . . . . 0.0 113.07 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 73.66 -45.91 0.62 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.778 0.674 . . . . 0.0 111.297 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -85.96 131.04 34.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 178.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.614 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -97.65 129.85 44.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 0.0 110.635 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 51.4 t80 -99.22 104.01 15.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.542 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.581 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 14.3 t -119.09 119.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.8 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.47 122.56 6.13 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.432 -0.889 . . . . 0.0 111.563 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 3.6 p-10 175.71 5.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.743 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 81.9 mt -66.11 142.47 57.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 0.0 111.383 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.489 ' OG ' HG21 ' A' ' 18' ' ' VAL . 90.1 p -129.25 -179.18 4.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.164 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.503 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 3.2 ppt_? -71.95 -12.85 61.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 110.668 175.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -91.2 -37.72 13.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG21 ' OG ' ' A' ' 15' ' ' SER . 93.7 t -61.19 138.65 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -121.11 154.43 36.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.47 -44.44 80.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.971 0.415 . . . . 0.0 110.685 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.12 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.977 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.3 tp -82.83 -52.86 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 0.0 110.114 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -53.59 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.12 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.8 -32.29 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.318 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.95 -45.32 67.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 38.0 mt -63.29 -37.46 87.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.985 -178.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.641 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 65.9 m-85 -81.64 -29.3 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.218 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 t -65.63 -23.45 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 0.0 110.057 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.21 -31.66 71.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.064 174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.17 -52.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.3 158.99 27.9 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.117 -1.04 . . . . 0.0 113.152 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.613 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 12.6 Cg_exo -70.6 129.51 16.83 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.851 2.367 . . . . 0.0 111.744 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.73 133.52 34.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.599 ' HD3' ' CE1' ' A' ' 54' ' ' HIS . 26.8 tptp -88.87 -44.11 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.634 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -163.09 146.0 10.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.941 176.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.9 m -135.6 138.4 42.9 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.091 0.472 . . . . 0.0 110.549 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -124.11 147.8 47.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.125 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -132.47 107.89 8.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.527 0.68 . . . . 0.0 109.908 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.1 mm -79.53 85.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.805 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.9 mtp -79.86 83.56 5.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.192 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -109.6 130.71 55.49 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -100.83 7.71 43.58 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.985 -170.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.57 58.6 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.08 -59.12 4.31 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.71 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -69.38 156.16 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 -174.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.2 m-20 -71.6 131.3 86.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.581 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.743 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 33.1 Cg_exo -62.13 148.68 92.75 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.999 2.466 . . . . 0.0 112.239 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -127.96 155.16 44.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.544 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -119.97 140.75 50.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.792 -175.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.426 ' CE1' ' HD2' ' A' ' 10' ' ' TYR . 73.9 m-85 -107.64 106.33 16.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.109 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.609 HG22 ' HB2' ' A' ' 9' ' ' LEU . 12.4 m -106.91 121.45 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.902 0.382 . . . . 0.0 110.37 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' HB2' HG23 ' A' ' 8' ' ' THR . 31.3 tt0 -119.66 122.94 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.126 0.489 . . . . 0.0 110.331 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.641 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 61.3 m-85 -94.69 171.8 8.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.056 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.613 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 90.3 m-70 -74.57 -32.53 62.43 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.654 0.74 . . . . 0.0 109.537 173.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' OE1' ' HB3' ' A' ' 57' ' ' ARG . 1.8 tm-20 -118.1 120.24 37.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.911 -166.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.535 ' HE1' ' HD2' ' A' ' 6' ' ' PRO . 44.2 t60 -69.85 -33.77 72.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.368 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' HB3' ' OE1' ' A' ' 55' ' ' GLU . 14.4 ttm180 -70.39 -23.65 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.282 0.563 . . . . 0.0 110.601 -175.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -81.82 -31.04 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.374 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.41 -32.11 72.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.54 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -62.18 -50.05 73.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.744 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.03 87.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.16 85.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' HA ' HG11 ' A' ' 78' ' ' VAL . 8.1 tt -65.39 -49.81 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.6 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.061 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.36 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 91.4 mmm -86.71 -26.65 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -65.01 123.47 19.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.149 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.01 66.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.666 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.489 ' O ' HG21 ' A' ' 76' ' ' VAL . 14.1 ttt180 -83.2 148.61 27.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.854 0.359 . . . . 0.0 110.175 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -101.56 118.51 37.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.64 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.1 mt -136.02 126.16 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.161 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.4 mmm 62.49 25.72 15.32 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.756 0.422 . . . . 0.0 111.423 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.8 1.17 77.33 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.966 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -100.89 136.08 41.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.671 0.388 . . . . 0.0 110.18 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.88 112.6 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.222 0.534 . . . . 0.0 110.207 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.506 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 4.0 m -83.12 145.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.193 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.1 mttp -129.21 124.1 33.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.718 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.536 HG12 HG21 ' A' ' 11' ' ' VAL . 20.7 t -112.44 113.7 44.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.819 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -120.41 158.33 27.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.681 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.498 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.8 m95 -74.59 117.49 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.59 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -79.55 90.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -142.85 140.41 31.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.21 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.9 m -118.68 104.98 46.47 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.18 133.29 54.83 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.616 2.211 . . . . 0.0 112.096 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.2 t -72.74 -20.94 61.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.481 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.9 m -76.27 72.18 3.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.227 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -102.97 107.21 17.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.59 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.99 132.71 35.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.56 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -77.14 91.54 3.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.692 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 64.64 89.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.842 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 92' ' ' SER . 6.5 t -70.5 -42.55 71.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.462 ' HB2' ' O ' ' A' ' 91' ' ' THR . 18.7 t . . . . . 0 C--O 1.25 1.086 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.31 -37.02 26.38 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.306 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.87 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.029 0.442 . . . . 0.0 111.565 -173.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.7 -22.27 66.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.397 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -131.75 80.74 65.25 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.135 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.687 ' HB2' ' HE3' ' A' ' 80' ' ' TRP . 99.8 Cg_exo -42.07 -48.7 6.2 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 114.439 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.9 tttt 74.68 -46.58 0.61 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.779 0.674 . . . . 0.0 111.776 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -88.7 139.71 30.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.85 HD13 HD22 ' A' ' 63' ' ' LEU . 2.7 mm? -100.71 133.38 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.867 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 59.3 t80 -96.18 113.81 25.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.826 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.774 HG22 HG22 ' A' ' 78' ' ' VAL . 86.1 t -106.22 121.19 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.905 0.383 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.18 167.48 12.95 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.924 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 95.1 m-20 71.53 59.77 0.16 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.984 0.461 . . . . 0.0 111.125 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 23.0 mt -84.45 142.82 29.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.444 0.64 . . . . 0.0 110.089 172.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -118.88 161.05 20.82 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.905 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -59.39 -30.68 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 110.15 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.92 14.26 2.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.609 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.01 108.75 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.132 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 t -84.06 144.18 29.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.158 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.19 -32.63 73.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.454 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.46 97.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.502 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' O ' HD22 ' A' ' 26' ' ' LEU . 55.2 tp -68.48 -51.06 47.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.645 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -57.25 -48.58 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.182 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.524 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.4 mm? -66.11 -28.8 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.538 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.57 -45.98 77.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 109.847 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -54.72 -41.61 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 64.7 m-85 -80.95 -37.05 30.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.482 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.95 -27.4 69.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.345 . . . . 0.0 110.859 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.73 -22.03 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.364 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.43 -50.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.444 ' HA3' ' HB3' ' A' ' 58' ' ' HIS . . . -154.03 165.4 31.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.57 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.12 118.94 5.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.043 2.495 . . . . 0.0 112.006 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.15 142.94 32.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.364 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -91.59 -52.75 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.502 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -165.36 151.4 9.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.286 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.524 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.4 p -127.34 124.71 39.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -106.95 130.61 54.58 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.0 mmm -110.13 99.2 8.31 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.026 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.498 HD11 ' N ' ' A' ' 39' ' ' ILE . 3.5 mp -85.79 84.19 2.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.2 mtm -100.86 83.47 2.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.767 0.794 . . . . 0.0 110.039 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -133.52 111.33 10.61 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.547 -1.206 . . . . 0.0 108.706 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 t -100.08 1.22 42.09 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.32 0.581 . . . . 0.0 110.896 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -32.0 14.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.422 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.15 -61.66 2.33 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.323 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -159.65 -164.38 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.94 120.81 78.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.653 0.264 . . . . 0.0 110.494 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.59 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 47.2 Cg_exo -56.38 147.72 66.17 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.357 2.705 . . . . 0.0 113.12 -176.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -144.69 179.9 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.785 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.576 ' HB2' HD13 ' A' ' 14' ' ' LEU . 50.6 t -145.18 148.69 33.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.402 ' HD2' HD12 ' A' ' 39' ' ' ILE . 58.4 m-85 -120.48 114.6 22.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.181 176.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 127.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.064 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -106.21 139.8 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 27.8 m-85 -108.92 155.47 20.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.907 174.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -84.65 -7.29 59.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.357 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -136.68 122.39 19.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.186 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -62.9 -33.61 75.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.438 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -66.49 -36.46 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.444 ' HB3' ' HA3' ' A' ' 31' ' ' GLY . 11.3 m170 -79.45 -27.93 41.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.553 ' HB2' HD21 ' A' ' 9' ' ' LEU . . . -64.3 -37.94 89.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.103 174.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . . . -64.84 -41.96 95.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.343 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.03 84.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.24 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.85 HD22 HD13 ' A' ' 9' ' ' LEU . 2.6 tm? -52.13 -56.81 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.845 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -23.45 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -173.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.15 -29.0 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.429 ' HB3' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -93.09 -40.03 10.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.622 0.249 . . . . 0.0 110.45 -175.332 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.473 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.4 t30 -63.36 125.83 25.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 -176.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.99 4.38 75.08 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.887 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.495 ' O ' HG21 ' A' ' 76' ' ' VAL . 52.2 ttt180 -91.23 141.23 29.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.835 0.35 . . . . 0.0 110.222 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.49 120.41 25.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 111.261 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -137.37 109.45 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.272 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 mmt 68.7 48.1 0.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.964 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.11 99.73 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.058 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -157.8 156.27 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.064 0.432 . . . . 0.0 110.095 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.9 113.63 25.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 69' ' ' ARG . 17.2 m -77.92 161.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.718 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttm -128.73 120.79 27.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.774 HG22 HG22 ' A' ' 11' ' ' VAL . 41.4 t -129.99 108.49 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.727 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.621 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 33.1 p30 -126.94 173.43 9.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.605 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.687 ' HE3' ' HB2' ' A' ' 6' ' ' PRO . 89.1 m95 -79.31 110.35 14.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.082 0.468 . . . . 0.0 110.655 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.867 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -87.0 108.24 18.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.858 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 p -77.61 -162.47 0.31 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.6 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.4 t -68.12 137.26 91.83 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 22.5 Cg_exo -66.89 69.92 0.52 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 123.094 2.529 . . . . 0.0 112.474 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -79.3 74.46 5.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.997 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.588 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . 22.0 t 70.42 3.0 4.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.338 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -88.3 90.95 8.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.722 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 60.47 76.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.707 ' HD3' ' H ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -114.08 171.2 7.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.769 173.768 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.93 69.96 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 0.0 110.414 -174.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.7 m -98.84 93.69 6.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.033 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.243 0.744 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.497 173.657 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.82 -23.68 64.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.706 0.765 . . . . 0.0 109.17 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -74.71 -23.45 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.397 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -83.9 -30.66 26.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.99 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.6 mtt -124.58 85.26 56.56 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.142 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.523 ' HG2' ' HB3' ' A' ' 80' ' ' TRP . 83.0 Cg_exo -46.68 -41.73 24.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.855 3.036 . . . . 0.0 113.902 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 75.54 -47.25 0.59 Allowed 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.713 0.633 . . . . 0.0 111.975 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -90.77 140.88 29.37 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.627 HD13 HD22 ' A' ' 63' ' ' LEU . 2.9 mm? -98.29 131.6 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.818 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 70.1 t80 -99.92 101.24 12.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.505 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.719 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 98.3 t -105.55 112.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.44 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -113.44 -175.98 19.28 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.644 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.37 43.21 2.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 110.915 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 57.9 mt -72.96 147.25 45.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.273 0.558 . . . . 0.0 110.366 175.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.721 ' HB3' HG21 ' A' ' 18' ' ' VAL . 22.7 t -110.23 155.75 21.59 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.04 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -71.95 -9.5 58.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.639 -177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' CG ' ' HG ' ' A' ' 15' ' ' SER . 1.5 p30 -95.05 -4.86 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.913 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.721 HG21 ' HB3' ' A' ' 15' ' ' SER . 80.0 t -84.7 125.24 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.8 t -100.13 147.59 25.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.904 177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 29.4 tt0 -62.46 -40.77 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.29 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.899 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.98 -48.99 64.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.733 -176.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.73 -51.16 73.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.254 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -64.64 -33.97 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.473 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.65 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.549 HD13 ' HE1' ' A' ' 66' ' ' MET . 35.0 mt -66.68 -36.2 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' HB3' ' HZ ' ' A' ' 53' ' ' PHE . 52.3 m-85 -76.59 -37.66 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.79 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t -62.72 -25.72 68.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -66.18 -26.94 67.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.751 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.9 mm -94.08 -48.92 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -154.56 179.51 30.63 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.377 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -87.0 124.85 2.19 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.964 2.443 . . . . 0.0 112.159 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.34 123.18 47.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.614 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 pttp -77.92 -27.32 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.016 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -169.71 155.11 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.035 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.615 ' HB3' HD11 ' A' ' 24' ' ' LEU . 30.3 p -128.57 149.67 50.52 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -128.27 106.94 9.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.219 0.533 . . . . 0.0 109.889 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.473 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 34.5 ttp -103.73 108.18 19.37 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.877 -177.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.411 HG13 ' CE2' ' A' ' 48' ' ' TYR . 32.4 mm -80.13 90.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.272 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtm -67.27 120.75 14.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.712 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.53 124.23 22.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.432 0.634 . . . . 0.0 111.832 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -102.51 -5.09 24.39 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.049 -175.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.17 -51.7 1.03 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.97 42.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -110.13 -170.04 1.57 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.6 t70 -83.18 115.47 59.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.638 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.1 Cg_exo -79.69 130.54 8.8 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.828 2.352 . . . . 0.0 112.145 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.44 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 18.6 p90 -139.16 161.01 38.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.028 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' HB2' HD13 ' A' ' 14' ' ' LEU . 49.5 t -135.73 135.22 39.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.44 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -98.59 121.13 40.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.339 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 9' ' ' LEU . 12.6 m -113.49 120.7 64.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 175.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -107.27 114.7 28.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.553 ' HZ ' ' HB3' ' A' ' 27' ' ' PHE . 62.5 m-85 -92.26 -172.06 3.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.538 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.614 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 97.6 m-70 -106.82 -45.03 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.005 0.431 . . . . 0.0 110.196 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -100.68 120.75 40.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.219 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.31 -29.83 64.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.715 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.63 -22.03 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -80.63 -33.82 35.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.28 90.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.341 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.008 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.84 -38.48 79.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.899 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -36.86 76.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.789 HD23 HG13 ' A' ' 78' ' ' VAL . 2.1 tm? -53.94 -60.43 3.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.469 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.86 62.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.4 -35.63 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.704 0.288 . . . . 0.0 111.626 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.549 ' HE1' HD13 ' A' ' 26' ' ' LEU . 11.9 tpt -92.03 -29.15 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.532 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.7 t30 -67.25 123.7 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.7 10.3 67.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -93.96 128.27 40.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.671 ' HZ3' ' HB2' ' A' ' 70' ' ' LYS . 1.9 ttmp? -94.5 107.11 19.09 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.664 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.6 mp -100.94 123.04 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.581 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.9 mmm 69.46 -64.35 0.34 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.027 0.829 . . . . 0.0 112.021 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.64 53.08 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.622 ' HB2' ' HZ3' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -157.57 142.16 16.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.04 110.0 15.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.29 168.55 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.149 0.5 . . . . 0.0 111.606 -175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.719 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 52.6 mtmt -131.01 124.93 31.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.456 174.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.789 HG13 HD23 ' A' ' 63' ' ' LEU . 50.3 t -129.05 104.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.001 0.429 . . . . 0.0 109.846 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -125.88 173.73 8.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.4 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.523 ' HB3' ' HG2' ' A' ' 6' ' ' PRO . 86.3 m95 -82.9 120.1 25.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.633 0.254 . . . . 0.0 110.854 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -97.99 100.55 11.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.917 0.389 . . . . 0.0 109.999 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 p -73.87 127.09 31.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.239 0.542 . . . . 0.0 111.765 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.2 t -118.53 103.64 48.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 121.662 0.744 . . . . 0.0 109.12 171.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 16.6 Cg_exo -68.52 -16.28 42.66 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.768 2.312 . . . . 0.0 112.968 -173.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 m 57.4 26.07 12.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.362 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 m -78.6 -7.34 57.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.02 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -154.43 126.23 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.611 0.244 . . . . 0.0 110.614 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -151.12 -1.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.759 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -76.53 83.21 3.22 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.268 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -116.78 113.81 23.08 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -61.29 115.7 4.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.416 -173.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.875 178.217 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.612 ' HB3' ' HB ' ' A' ' 83' ' ' THR . 2.1 mp0 -68.97 -42.95 75.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.818 -175.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.515 ' HA ' HG21 ' A' ' 82' ' ' THR . 7.0 p-10 -87.98 -17.93 30.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.176 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.932 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.2 mtt -121.39 84.21 41.19 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 11.1 Cg_endo -58.39 103.11 0.15 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.375 2.05 . . . . 0.0 111.46 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -88.38 -3.56 58.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.109 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.8 m -107.64 137.3 45.9 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.27 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.7 HD23 ' HB2' ' A' ' 59' ' ' ALA . 3.6 mm? -104.54 131.95 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.79 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.1 t80 -93.24 100.31 12.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.871 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 78' ' ' VAL . 50.2 t -102.46 114.63 42.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.834 0.349 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -103.2 175.43 23.84 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.472 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.745 ' HA ' ' OD1' ' A' ' 46' ' ' ASP . 6.1 m-20 72.73 59.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.165 0.507 . . . . 0.0 111.289 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 49' ' ' CYS . 61.3 mt -86.66 178.72 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.321 0.581 . . . . 0.0 110.973 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.819 ' HB3' HG22 ' A' ' 18' ' ' VAL . 30.7 t -149.3 160.03 43.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.95 -9.82 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.174 0.511 . . . . 0.0 109.724 175.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -98.56 2.21 47.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.663 0.744 . . . . 0.0 109.898 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.819 HG22 ' HB3' ' A' ' 15' ' ' SER . 82.1 t -104.15 110.95 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.393 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -91.28 147.24 23.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.485 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 33.5 tt0 -59.83 -35.83 75.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.366 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.06 73.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.047 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.1 tp -74.9 -53.28 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -53.79 -52.78 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -63.51 -41.0 98.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.426 -177.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -64.1 -40.49 96.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.624 0.25 . . . . 0.0 110.675 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 39.3 mt -60.83 -45.0 96.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.62 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 54.3 m-85 -71.31 -30.48 66.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -64.33 -29.96 71.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.545 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 -26.57 65.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.91 -53.39 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.423 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.93 157.33 27.22 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.427 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.62 116.05 3.08 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.566 2.177 . . . . 0.0 111.709 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.2 m -84.35 145.02 28.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -112.83 -39.66 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.662 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . 4.3 t-20 -146.29 151.64 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.613 0.244 . . . . 0.0 110.421 -176.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.547 ' HB3' HD13 ' A' ' 24' ' ' LEU . 23.8 p -141.46 130.43 23.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -141.28 112.91 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.485 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 15.1 ptp -85.72 142.59 28.89 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 171.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -113.47 129.78 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.341 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.4 ptm -101.55 131.11 47.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -128.17 129.8 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.077 0.465 . . . . 0.0 110.956 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.1 t -101.33 6.05 42.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.38 -174.27 4.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.929 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.42 46.39 3.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.486 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.91 160.15 40.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.745 ' OD1' ' HA ' ' A' ' 13' ' ' ASN . 10.0 t70 -93.47 132.54 30.01 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.15 149.93 51.24 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 113.854 -173.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -132.25 165.84 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.682 ' HB2' HD11 ' A' ' 14' ' ' LEU . 47.7 t -136.71 146.15 45.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.913 0.387 . . . . 0.0 110.993 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.82 116.14 31.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.239 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.4 m -114.39 121.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.429 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.503 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.0 tt0 -105.23 133.01 50.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.717 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 10.5 m-85 -102.46 157.63 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -80.21 -31.83 38.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 170.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 2.3 tm-20 -115.47 111.47 20.81 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.359 -170.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -71.31 -34.25 70.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.757 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 12.2 tpt180 -64.12 -34.38 77.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.468 . . . . 0.0 110.502 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -77.14 -28.02 54.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.346 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.7 ' HB2' HD23 ' A' ' 9' ' ' LEU . . . -63.58 -29.53 70.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.381 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.67 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.772 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.44 96.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.96 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.596 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.544 HD21 HD11 ' A' ' 9' ' ' LEU . 3.1 tm? -55.59 -54.47 43.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.339 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.95 75.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.1 -40.29 31.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -86.69 -20.25 28.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.02 115.98 8.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.427 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 10.13 58.65 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.529 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -72.88 155.39 39.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -105.88 101.16 10.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.486 HD11 HG12 ' A' ' 76' ' ' VAL . 73.1 mt -118.86 116.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.2 mmt 59.62 34.82 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.816 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.19 84.81 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.819 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -123.48 137.96 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.02 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.133 0.492 . . . . 0.0 110.516 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.486 HG12 HD11 ' A' ' 71' ' ' ILE . 17.4 m -78.99 151.04 5.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.74 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -131.05 121.62 25.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.545 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 11' ' ' VAL . 21.3 t -112.91 129.27 68.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.577 -174.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -134.36 163.08 30.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.492 ' CE2' ' HG ' ' A' ' 63' ' ' LEU . 94.3 m95 -72.67 108.5 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.277 . . . . 0.0 110.848 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.79 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -89.85 98.51 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 0.0 110.316 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.515 HG21 ' HA ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -68.73 154.2 42.39 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 178.009 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.612 ' HB ' ' HB3' ' A' ' 2' ' ' GLU . 9.8 m -107.64 105.52 56.26 Favored Pre-proline 0 N--CA 1.441 -0.877 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.961 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.508 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 8.2 Cg_exo -73.16 72.95 3.3 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.127 2.552 . . . . 0.0 111.276 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 t 68.12 -78.08 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.362 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -146.47 10.11 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.673 0.273 . . . . 0.0 110.473 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.508 ' HG2' ' HD2' ' A' ' 84' ' ' PRO . 22.0 mt-30 65.98 178.72 0.21 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.953 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -122.8 75.13 1.25 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -75.83 59.94 1.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.375 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.5 -22.66 28.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.8 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -81.04 -32.17 34.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.311 -179.531 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.303 0.573 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -76.4 -21.29 56.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.94 177.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' HA ' ' HB ' ' A' ' 82' ' ' THR . 31.2 t70 -77.96 -19.0 55.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.791 173.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -85.86 -45.32 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.144 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.3 mtp -120.09 84.84 34.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.09 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.768 ' HG3' ' HB3' ' A' ' 80' ' ' TRP . 29.0 Cg_endo -63.11 -47.25 8.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 113.616 -175.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 48.7 mtpt 73.17 -44.29 0.59 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.392 0.677 . . . . 0.0 111.826 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 m -80.15 125.89 30.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.596 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.675 HD22 ' HB1' ' A' ' 59' ' ' ALA . 4.4 mm? -92.33 132.53 36.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.976 0.417 . . . . 0.0 110.191 176.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.609 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 33.2 t80 -99.48 109.31 21.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.716 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 46.2 t -111.02 122.07 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.76 178.42 16.94 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.714 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' HA ' ' HB3' ' A' ' 46' ' ' ASP . 11.2 m120 70.92 30.15 2.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.171 0.589 . . . . 0.0 111.545 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD22 ' HA ' ' A' ' 48' ' ' TYR . 4.6 mm? -70.55 167.8 17.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.688 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -147.48 150.65 34.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -6.92 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.6 -24.06 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.209 172.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.71 125.44 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.182 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 t -84.82 143.57 29.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.548 0.689 . . . . 0.0 110.553 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.08 -24.87 65.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.348 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.62 94.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.211 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 59.4 tp -69.79 -50.74 40.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.45 -52.65 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.042 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD13 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -61.09 -41.67 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.75 -45.44 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.161 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 32.9 mt -57.58 -37.71 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.821 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.459 ' HZ ' HG23 ' A' ' 11' ' ' VAL . 36.8 m-85 -85.61 -27.52 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.949 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.5 t -67.3 -33.79 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -177.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -70.73 -19.3 62.75 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.133 0.492 . . . . 0.0 110.652 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.6 mm -89.26 -45.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.711 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 58' ' ' HIS . . . -168.79 163.98 37.66 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.787 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 23.5 Cg_exo -64.83 113.82 2.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.45 2.1 . . . . 0.0 112.035 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.32 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.141 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 20.8 tptp -88.16 -32.14 18.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.777 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 95.9 m-20 -127.49 137.89 52.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.876 0.369 . . . . 0.0 110.689 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' HB3' HD13 ' A' ' 24' ' ' LEU . 4.2 p -125.33 105.02 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.98 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.714 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.3 mmtp -102.9 107.15 17.88 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.232 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 ttp -107.57 99.29 8.8 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mm -85.62 86.71 2.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.231 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.9 ptm -99.12 133.62 43.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.43 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.12 170.16 16.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -92.58 -8.8 43.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.162 0.506 . . . . 0.0 110.432 -175.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -138.46 155.35 48.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.374 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.57 -143.34 14.5 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -107.48 -88.79 0.46 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.59 0.71 . . . . 0.0 110.072 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' HB3' ' HA ' ' A' ' 13' ' ' ASN . 3.3 m-20 -133.92 137.98 29.71 Favored Pre-proline 0 C--N 1.312 -1.034 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.864 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.81 150.22 23.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.111 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.533 ' HA ' HD22 ' A' ' 14' ' ' LEU . 15.8 p90 -139.63 161.63 37.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 49.9 t -128.9 136.6 50.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.059 0.457 . . . . 0.0 111.512 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.714 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.1 m-85 -107.73 122.5 46.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.049 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.4 122.83 70.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.898 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.777 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -87.44 115.11 24.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 177.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.504 ' CE2' HD23 ' A' ' 9' ' ' LEU . 21.5 m-85 -98.48 130.77 45.08 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.614 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 84.4 m-70 -60.76 -31.6 70.93 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.328 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.81 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.541 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -77.73 -27.65 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.818 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -47.35 80.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.71 0.29 . . . . 0.0 111.465 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 3.3 p-80 -76.9 -9.7 58.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.112 0.482 . . . . 0.0 110.403 -176.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.675 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -64.16 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.353 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.67 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.549 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.67 84.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.877 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.69 -36.46 62.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.606 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.625 HD12 HG12 ' A' ' 78' ' ' VAL . 7.6 tp -56.19 -57.7 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.058 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.08 -15.2 62.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.155 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.3 6.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.756 0.312 . . . . 0.0 111.481 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.442 ' HE3' ' HB3' ' A' ' 26' ' ' LEU . 1.3 mpt? -88.49 -23.58 23.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -172.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.487 ' HA ' HG22 ' A' ' 78' ' ' VAL . 55.6 t30 -62.16 120.96 11.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.75 10.89 75.23 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.013 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 76' ' ' VAL . 65.0 ttt180 -88.22 140.61 29.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.051 0.453 . . . . 0.0 110.599 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.0 110.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.502 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 72' ' ' MET . 65.6 mt -120.71 123.92 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.672 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.527 ' HG2' HG21 ' A' ' 71' ' ' ILE . 23.6 mmt 68.41 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.255 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.05 20.13 0.75 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -141.4 158.31 44.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.262 -177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -94.19 120.2 34.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.333 173.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.491 HG12 HD12 ' A' ' 71' ' ' ILE . 23.0 m -85.62 152.63 3.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.023 0.439 . . . . 0.0 110.53 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.3 mttm -130.27 128.53 41.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.964 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.625 HG12 HD12 ' A' ' 63' ' ' LEU . 10.3 t -117.33 123.31 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.43 -177.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -132.02 165.26 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.507 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.768 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 42.8 m0 -80.56 112.61 18.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.424 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.609 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -76.02 92.1 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.514 0.674 . . . . 0.0 109.694 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' A' ' 3' ' ' ASP . 17.3 p -98.17 143.63 28.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.726 -176.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.0 m -96.49 105.14 20.73 Favored Pre-proline 0 N--CA 1.443 -0.778 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.04 81.75 1.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.088 2.525 . . . . 0.0 112.253 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -81.16 67.98 7.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 109.807 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 p -84.65 27.12 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.982 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -87.04 55.73 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.383 0.611 . . . . 0.0 110.352 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -166.8 89.47 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.9 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -84.17 66.35 9.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.065 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -110.95 83.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 171.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.7 t -108.25 137.06 46.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.017 -173.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.322 177.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.468 -0.197 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 85' ' ' SER . 39.8 mt-10 -74.38 -24.12 59.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.683 0.754 . . . . 0.0 109.987 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -79.86 0.01 32.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.25 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -116.78 -8.5 11.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.006 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.1 mtt -121.7 85.07 43.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.92 90.6 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.065 1.843 . . . . 0.0 111.122 169.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -89.21 -7.65 55.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.635 0.731 . . . . 0.0 109.864 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -121.95 134.24 54.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.531 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.794 HD13 HD22 ' A' ' 63' ' ' LEU . 3.0 mm? -100.14 139.79 35.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.86 0.362 . . . . 0.0 110.492 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.677 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 33.1 t80 -103.44 105.64 15.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.793 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 78' ' ' VAL . 60.7 t -105.18 112.74 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.96 170.61 20.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.426 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 73.03 40.53 0.55 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.402 0.681 . . . . 0.0 111.645 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD12 ' HB2' ' A' ' 49' ' ' CYS . 57.9 mt -79.62 145.65 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.14 0.495 . . . . 0.0 109.921 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.58 ' HB3' HG23 ' A' ' 18' ' ' VAL . 48.2 t -94.7 167.7 11.29 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.443 176.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.657 ' NH1' ' HA ' ' A' ' 16' ' ' ARG . 7.2 mmm180 -80.5 -6.74 58.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.517 0.675 . . . . 0.0 109.339 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.76 -1.26 46.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.425 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.58 HG23 ' HB3' ' A' ' 15' ' ' SER . 88.3 t -85.33 126.74 40.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -98.15 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.934 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.56 -41.32 84.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.056 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.95 69.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.875 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.7 tt -69.68 -49.87 49.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.921 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 HD12 HG12 ' A' ' 18' ' ' VAL . 51.4 mm -54.27 -58.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.737 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 36' ' ' CYS . 6.6 tp -56.89 -42.34 79.68 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.626 -174.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.27 -42.49 96.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.142 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 22.2 mt -60.82 -38.41 85.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.576 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.544 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 80.6 m-85 -82.87 -32.98 27.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.2 m -65.28 -22.4 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.62 -34.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.178 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.2 mm -92.87 -53.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.911 -176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.29 160.39 28.17 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.943 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.2 112.34 2.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.944 2.43 . . . . 0.0 111.74 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 m -95.32 140.18 30.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.308 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 52.9 tptt -108.06 -43.68 4.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.368 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -129.03 140.68 51.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.907 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.508 ' HB2' HD11 ' A' ' 24' ' ' LEU . 49.2 t -128.26 104.57 7.81 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.239 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 27.1 tttp -93.86 141.39 28.56 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.809 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 84.5 mtp -124.3 104.11 8.61 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.757 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.437 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 38.2 mm -86.04 99.04 7.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.277 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -106.32 110.16 22.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.355 0.597 . . . . 0.0 110.412 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.14 -177.69 3.94 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -77.67 -37.6 49.38 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.381 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.65 174.41 0.82 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.302 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.39 -107.66 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -86.47 155.06 20.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -66.2 135.4 94.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -47.05 155.05 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.072 3.181 . . . . 0.0 114.206 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.437 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 11.3 p90 -130.9 151.49 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.391 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.624 ' HB2' HD12 ' A' ' 14' ' ' LEU . 46.1 t -117.48 143.27 46.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.391 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.562 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 76.5 m-85 -111.17 109.74 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.742 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 m -104.91 125.93 59.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -106.3 123.13 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.544 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 15.9 m-85 -96.61 165.36 12.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 34' ' ' LYS . 93.2 m-70 -89.02 -7.78 55.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.214 171.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -143.19 112.31 6.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.649 -169.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.24 -33.4 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.766 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 76.8 mtt180 -70.15 -31.98 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 0.0 110.298 -176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.85 -34.73 39.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.842 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.792 ' HB1' HD22 ' A' ' 9' ' ' LEU . . . -59.38 -40.37 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.597 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.81 90.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.04 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.34 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.601 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.658 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.794 HD22 HD13 ' A' ' 9' ' ' LEU . 3.2 tm? -54.01 -58.52 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.214 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.7 59.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.98 -35.12 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.424 ' CE ' ' HB3' ' A' ' 26' ' ' LEU . 31.4 tpp -97.08 -24.06 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.59 111.16 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.425 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.99 6.21 30.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.389 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 26.4 tpt180 -76.81 157.32 31.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 82.6 tttt -117.48 118.22 31.58 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.912 0.386 . . . . 0.0 110.164 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.441 HG22 ' HG2' ' A' ' 72' ' ' MET . 72.1 mt -126.84 118.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.636 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.441 ' HG2' HG22 ' A' ' 71' ' ' ILE . 22.2 mmt 61.21 35.31 18.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.253 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.02 -18.58 57.17 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.375 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' HD3' ' HB2' ' A' ' 15' ' ' SER . 29.8 mtpp -110.19 135.14 51.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.019 0.409 . . . . 0.0 111.314 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 54.3 mt-10 -84.88 119.43 25.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.004 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.0 m -76.73 155.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.233 -175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -130.78 111.29 12.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.728 HG22 HG23 ' A' ' 11' ' ' VAL . 11.7 t -106.32 116.63 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.149 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -125.31 168.31 13.7 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.294 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -68.31 123.29 20.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.677 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -96.68 90.63 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 p -96.74 161.03 14.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.285 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 m -112.24 111.28 52.94 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.55 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.06 95.13 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.12 2.547 . . . . 0.0 112.145 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.561 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 14.9 t -86.11 70.52 10.58 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.76 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -72.03 85.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.649 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.17 -48.56 7.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.677 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 88' ' ' LYS . 14.2 ptpt -83.49 69.27 10.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.107 0.955 . . . . 0.0 110.746 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -137.06 -51.09 0.66 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.007 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -110.48 -161.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.734 173.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.9 m 64.7 92.58 0.07 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.109 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.289 -174.483 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -67.2 -30.18 70.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.487 0.66 . . . . 0.0 110.417 178.041 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -75.94 -5.66 47.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.47 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.72 3.91 16.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.184 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 78.3 mtp -131.29 70.93 82.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.736 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' A' ' 8' ' ' THR . 9.7 Cg_endo -55.87 -55.5 2.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.502 2.135 . . . . 0.0 112.901 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 71.25 -14.94 0.44 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.135 0.574 . . . . 0.0 111.493 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.483 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.3 m -109.34 134.01 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.014 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.619 HD23 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -103.29 134.57 46.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.069 0.462 . . . . 0.0 110.338 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.878 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 69.6 t80 -95.61 109.42 21.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.693 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.697 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.7 t -106.84 124.99 62.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.761 176.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.34 178.7 16.39 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.103 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.576 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 12.5 m120 65.96 34.76 6.89 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.981 0.512 . . . . 0.0 111.027 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -68.1 148.26 51.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.784 ' HB2' HG22 ' A' ' 18' ' ' VAL . 6.2 m -114.18 155.0 26.87 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.537 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.0 mpt_? -75.85 -16.14 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -93.37 4.66 53.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.481 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.784 HG22 ' HB2' ' A' ' 15' ' ' SER . 74.7 t -89.59 129.26 40.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 174.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.1 t -96.65 148.06 23.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.772 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HG2' HD21 ' A' ' 24' ' ' LEU . 31.1 tt0 -58.38 -36.93 74.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.167 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.63 69.79 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.603 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 62.2 tp -71.73 -55.53 7.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.46 -47.51 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.909 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 HD21 ' HG2' ' A' ' 20' ' ' GLU . 3.4 mm? -56.92 -45.81 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.26 -41.25 85.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.138 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 33.9 mt -58.16 -43.77 87.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 75.8 m-85 -82.92 -28.91 29.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.4 t -61.24 -31.18 70.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.111 0.481 . . . . 0.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.37 -28.0 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.613 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.46 -50.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.54 153.24 24.67 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.034 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.69 ' HD2' ' HG3' ' A' ' 55' ' ' GLU . 66.9 Cg_exo -53.37 113.82 1.47 Allowed 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.031 2.487 . . . . 0.0 112.223 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.94 136.05 37.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.775 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -88.87 -49.29 6.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.557 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -164.99 150.36 9.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.521 ' HG ' HG12 ' A' ' 51' ' ' VAL . 61.7 m -131.17 111.38 11.9 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 13.4 mmmm -97.67 107.0 19.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.371 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -90.05 100.08 12.97 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.47 109.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.258 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.41 128.56 36.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.395 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -102.12 -163.72 1.03 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.007 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 p -67.36 1.9 1.98 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 75.71 -13.56 0.86 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.122 0.969 . . . . 0.0 111.242 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.56 6.01 18.72 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.606 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.27 -140.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 16.8 t70 -118.38 114.92 36.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.423 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.2 Cg_exo -78.84 146.74 21.01 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.252 2.635 . . . . 0.0 111.803 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.571 ' HA ' HD21 ' A' ' 14' ' ' LEU . 8.0 p90 -137.19 152.11 49.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.006 0.431 . . . . 0.0 111.084 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 46.7 t -125.02 139.21 54.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.013 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.3 m-85 -108.14 106.67 16.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.984 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 9' ' ' LEU . 22.4 m -104.37 124.13 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.164 0.507 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.28 143.45 32.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.358 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 44.6 m-85 -116.73 155.12 29.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -87.48 -8.13 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.69 ' HG3' ' HD2' ' A' ' 32' ' ' PRO . 36.6 mm-40 -118.08 93.53 4.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.673 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -65.35 -29.31 70.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -68.37 -37.4 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.507 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.486 ' HB2' ' CB ' ' A' ' 55' ' ' GLU . 17.3 m80 -84.36 -26.08 28.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' HD23 ' A' ' 9' ' ' LEU . . . -56.53 -38.24 71.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.61 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.31 85.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.945 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 9.2 tt -61.59 -41.58 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.65 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.8 -30.8 17.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -96.72 -25.51 15.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -172.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.553 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.5 t30 -74.4 138.85 43.63 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.472 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.18 85.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -98.13 159.6 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -176.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 28.2 ttpt -97.38 102.24 13.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.544 HD11 HG13 ' A' ' 76' ' ' VAL . 65.5 mt -101.5 120.5 51.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm 68.25 -71.42 0.11 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.956 0.785 . . . . 0.0 110.713 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.5 34.83 0.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HE3' ' OG ' ' A' ' 15' ' ' SER . 2.1 tppt? -135.79 149.77 49.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -175.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.71 108.63 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.544 HG13 HD11 ' A' ' 71' ' ' ILE . 17.3 m -88.85 168.65 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.491 0.663 . . . . 0.0 112.351 -168.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 42.9 mmtm -133.58 122.39 23.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.068 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.553 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 45.1 t -126.36 98.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.03 165.26 14.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.919 -175.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -86.72 112.26 21.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.878 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -91.05 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.984 -175.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.431 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 1.3 p -90.91 171.71 9.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.431 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.8 p -88.04 110.77 38.12 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.846 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 82' ' ' THR . 7.9 Cg_exo -72.4 88.76 0.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.999 2.466 . . . . 0.0 111.044 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -77.97 43.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.407 -173.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t -122.73 36.49 4.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.696 0.76 . . . . 0.0 108.957 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -123.94 -177.38 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.379 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 70.43 -48.36 0.64 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.655 0.782 . . . . 0.0 112.318 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -99.83 -29.07 12.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.12 -29.6 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.47 0.653 . . . . 0.0 110.515 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 t -147.38 154.78 41.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.389 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.248 0.985 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.389 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -20.17 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -80.81 -6.22 58.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.801 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -77.49 -6.45 53.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt -121.96 71.31 31.18 Favored Pre-proline 0 C--N 1.327 -0.391 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.27 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.807 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 26.8 Cg_endo -63.93 -58.99 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.208 1.939 . . . . 0.0 111.483 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm 73.82 -9.18 1.26 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.16 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.879 ' HG1' ' HG3' ' A' ' 52' ' ' GLU . 49.4 m -92.89 120.05 32.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.471 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.484 HD22 ' HB2' ' A' ' 59' ' ' ALA . 3.4 mm? -95.37 128.32 42.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 42.0 t80 -95.2 117.33 30.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.419 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 78' ' ' VAL . 48.6 t -115.42 121.21 66.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.335 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -106.66 168.99 14.86 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.977 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.694 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 93.2 m-20 75.87 49.86 0.07 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.316 0.647 . . . . 0.0 112.088 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.814 HD13 ' HB2' ' A' ' 49' ' ' CYS . 62.6 mt -88.84 177.59 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -148.59 167.31 25.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 4.6 mpt_? -68.92 -23.9 64.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.5 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.31 -28.94 67.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.245 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.91 123.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.618 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' H ' ' A' ' 22' ' ' LEU . 4.2 t -92.34 146.28 23.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.09 -35.11 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.367 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.89 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.963 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 67.7 tp -68.49 -53.53 22.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.278 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.7 -53.87 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -63.49 -37.64 88.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.285 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.29 -44.4 95.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 110.892 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 29.3 mt -62.98 -43.93 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 66' ' ' MET . 37.6 m-85 -68.96 -35.7 77.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.298 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -61.58 -30.11 70.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -69.28 -27.92 65.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.412 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.4 mm -90.59 -53.16 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.22 160.86 28.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.559 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 37.1 Cg_endo -66.25 116.16 3.88 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.631 2.221 . . . . 0.0 112.136 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.26 125.05 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.018 0.437 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -87.12 -40.37 14.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.267 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -159.89 153.19 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.539 ' HB3' HD12 ' A' ' 24' ' ' LEU . 13.8 p -126.28 147.08 49.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.153 0.502 . . . . 0.0 111.368 -176.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 42.7 mmtm -123.58 110.03 14.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.384 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.1 ttm -95.53 99.32 11.22 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.0 mm -110.8 84.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 0.0 110.482 -177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.502 ' HA ' ' HB3' ' A' ' 47' ' ' PRO . 63.7 mtt -85.77 86.23 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.07 131.17 49.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.738 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 t -101.88 -9.47 20.7 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.555 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.28 -33.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.6 -99.65 0.72 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.126 -175.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.34 -172.06 1.96 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.525 0.202 . . . . 0.0 110.95 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.694 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 30.7 t70 -71.31 132.59 85.89 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.502 ' HB3' ' HA ' ' A' ' 40' ' ' MET . 54.5 Cg_exo -38.17 132.31 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.369 3.379 . . . . 0.0 114.41 -175.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -132.06 166.29 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.718 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.814 ' HB2' HD13 ' A' ' 14' ' ' LEU . 49.6 t -135.85 141.74 44.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.115 0.483 . . . . 0.0 111.126 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.822 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 95.8 m-85 -109.99 139.15 45.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.32 112.87 8.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.492 0.663 . . . . 0.0 110.715 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.879 ' HG3' ' HG1' ' A' ' 8' ' ' THR . 3.5 mp0 -85.99 117.92 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.682 -178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.93 157.97 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.03 0.443 . . . . 0.0 111.059 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.559 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 90.0 m-70 -81.6 -14.43 56.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.745 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -141.89 124.33 15.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.839 -165.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -78.43 -34.81 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.994 -175.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.522 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 42.1 ttm180 -67.64 -32.87 73.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.018 0.437 . . . . 0.0 110.582 -175.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -77.83 -31.09 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.342 0.592 . . . . 0.0 109.758 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -66.62 -23.08 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.629 177.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.03 -42.6 80.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.448 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.42 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.243 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -34.65 76.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.46 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -62.11 -43.95 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.19 27.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.208 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.19 -33.36 19.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 13.9 tpt -87.83 -40.12 14.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 -176.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.534 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 3.0 t-20 -74.65 110.33 8.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.68 -7.33 13.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.368 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -71.61 165.93 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -121.1 119.84 33.59 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.881 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.95 118.88 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.22 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.9 mmm 56.15 32.82 20.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.129 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.26 20.96 69.83 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.892 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -122.2 148.34 45.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.341 0.57 . . . . 0.0 110.407 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.59 109.22 7.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.59 ' O ' HG21 ' A' ' 76' ' ' VAL . 30.3 m -74.12 108.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.902 0.858 . . . . 0.0 109.884 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 16.0 mmtm -102.6 109.12 20.63 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.839 HG22 HG22 ' A' ' 11' ' ' VAL . 26.1 t -115.85 117.03 54.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.646 -174.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.517 ' HA ' HD23 ' A' ' 63' ' ' LEU . 10.2 p30 -128.88 158.33 39.06 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.459 ' HE3' HG21 ' A' ' 82' ' ' THR . 6.4 p-90 -85.62 103.27 14.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.331 0.586 . . . . 0.0 110.469 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.2 95.52 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.807 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 7.9 p -70.54 150.47 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.906 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 p -98.78 104.1 22.98 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.3 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.14 33.23 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.167 2.578 . . . . 0.0 112.518 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 p 46.93 39.31 7.35 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.379 0.672 . . . . 0.0 111.541 -176.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 t -95.02 74.93 3.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -94.02 115.63 27.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.329 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -91.54 54.67 2.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.461 0.648 . . . . 0.0 109.773 174.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -100.6 -22.97 14.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.726 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.09 123.75 16.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.656 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.9 m -82.22 110.12 17.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.803 176.115 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.377 0.608 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.52 -31.1 57.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.636 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.509 ' HA ' ' CG2' ' A' ' 82' ' ' THR . 13.9 t70 -63.6 -34.64 78.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 176.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.52 -22.04 66.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.832 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.4 mtp -130.09 72.0 82.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.678 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.76 -45.94 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.505 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mttp 70.61 -54.89 0.64 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.895 0.878 . . . . 0.0 112.468 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 m -82.88 139.53 33.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 0.0 111.605 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 59' ' ' ALA . 3.6 mm? -93.84 138.83 31.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 51.7 t80 -104.81 105.59 15.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.59 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.744 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 66.1 t -111.43 112.82 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.828 0.347 . . . . 0.0 110.73 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.58 -170.01 18.75 Favored Glycine 0 C--O 1.237 0.33 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.788 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 43.24 9.01 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.027 0.531 . . . . 0.0 111.205 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 30.6 mt -69.97 157.4 37.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.457 . . . . 0.0 111.28 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.601 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.0 m -131.57 158.85 39.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.26 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -41.47 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.614 0.245 . . . . 0.0 111.546 -175.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -78.48 -0.79 30.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.369 . . . . 0.0 111.191 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' HB2' ' A' ' 15' ' ' SER . 86.8 t -88.12 109.03 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.636 HG21 ' H ' ' A' ' 22' ' ' LEU . 12.0 t -88.34 144.63 26.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 0.0 111.017 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 36.2 tt0 -56.51 -39.87 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.822 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.86 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.784 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.636 ' H ' HG21 ' A' ' 19' ' ' THR . 67.5 tp -68.26 -52.72 30.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.838 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.26 -53.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.664 0.602 . . . . 0.0 111.334 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.32 -38.97 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.541 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.92 -43.91 94.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.16 -43.17 99.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 45.3 m-85 -70.34 -33.02 70.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -66.29 -24.69 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.727 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -73.9 -25.37 59.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.324 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mm -85.98 -51.32 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.89 -179.21 23.71 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.025 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.49 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 6.1 Cg_exo -78.55 107.54 2.3 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -73.41 121.22 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.313 0.578 . . . . 0.0 110.549 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -84.47 -57.34 3.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.432 ' HB3' ' OE2' ' A' ' 52' ' ' GLU . 53.7 t30 -153.72 159.38 41.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.817 -171.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 p -126.84 107.16 9.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.245 177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.909 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 24.9 mmmt -89.09 104.82 17.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.612 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 47.3 ttm -100.26 107.87 19.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.348 -176.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mm -105.98 100.67 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.276 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.4 mtp -92.59 121.15 33.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -88.53 147.07 24.81 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.689 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -101.58 -17.98 16.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.854 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.28 42.66 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.5 -71.09 0.74 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.442 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.7 t30 174.69 -56.54 0.01 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.595 0.712 . . . . 0.0 109.968 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 7.2 p-10 -150.14 144.44 17.56 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.951 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 7.2 Cg_exo -73.49 140.41 29.97 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.769 2.313 . . . . 0.0 111.674 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -131.53 151.59 51.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.2 t -127.31 135.94 51.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.699 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.909 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 96.5 m-85 -95.02 122.19 37.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.721 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.79 113.17 41.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.795 0.331 . . . . 0.0 110.192 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' OE2' ' HB3' ' A' ' 35' ' ' ASN . 42.7 mt-10 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 50.2 m-85 -109.31 155.68 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.49 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 97.1 m-70 -87.25 -7.02 58.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.73 120.68 19.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.075 -177.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.42 -35.3 79.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.377 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.65 -42.5 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 109.976 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.658 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -64.02 -38.96 92.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.618 171.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.85 89.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.959 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.06 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.83 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.594 HD23 HG12 ' A' ' 78' ' ' VAL . 1.7 tm? -53.97 -51.07 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.072 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.214 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.36 -29.0 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -171.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.5 mmm -96.79 -32.99 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.667 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.4 t30 -72.77 111.33 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.007 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 -8.64 28.66 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.722 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -84.43 124.06 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -83.19 121.15 26.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.602 HG23 ' HG2' ' A' ' 72' ' ' MET . 64.9 mt -129.23 135.06 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.499 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.602 ' HG2' HG23 ' A' ' 71' ' ' ILE . 21.6 mmt 69.68 -72.37 0.11 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 111.858 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 44.58 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -152.3 166.55 31.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -83.63 138.63 33.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -98.59 148.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.744 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.0 mttm -129.77 109.15 10.72 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.667 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 39.9 t -118.96 99.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -120.0 168.19 11.41 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.667 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.493 ' NE1' ' HG ' ' A' ' 63' ' ' LEU . 91.9 m95 -83.41 116.91 22.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -72.58 91.55 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.509 ' CG2' ' HA ' ' A' ' 3' ' ' ASP . 1.5 m -110.12 141.56 42.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.313 -175.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 p -109.95 104.95 56.61 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.449 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.564 ' HA ' ' OE1' ' A' ' 87' ' ' GLN . 24.4 Cg_exo -64.03 88.14 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.195 2.597 . . . . 0.0 112.194 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -90.28 118.21 29.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.943 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.4 m 71.56 4.03 4.89 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.887 0.742 . . . . 0.0 111.162 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.564 ' OE1' ' HA ' ' A' ' 84' ' ' PRO . 39.9 mt-30 -90.05 65.73 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.675 0.75 . . . . 0.0 110.054 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -95.32 28.79 2.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.046 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 46.2 mtpt 56.27 53.99 8.23 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.272 0.558 . . . . 0.0 109.58 -170.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.73 -36.87 59.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.298 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -175.44 49.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.319 1.056 . . . . 0.0 108.418 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.25 1.121 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.545 -173.723 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.58 0.229 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -65.28 -24.57 67.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.204 0.526 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.65 -5.51 25.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.084 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -104.97 -10.93 16.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.155 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.1 mmt -125.19 78.22 67.07 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.535 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG3' HG22 ' A' ' 82' ' ' THR . 31.9 Cg_exo -56.89 106.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 111.985 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -101.69 -3.04 28.92 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.435 0.636 . . . . 0.0 109.78 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.3 m -108.27 140.27 41.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.675 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.616 HD21 ' HB3' ' A' ' 59' ' ' ALA . 3.6 mm? -104.16 131.14 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.905 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 73.5 t80 -97.66 99.83 11.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.553 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.738 ' HB ' ' HG ' ' A' ' 49' ' ' CYS . 34.6 t -97.35 118.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -116.89 -176.36 17.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.447 ' N ' HD21 ' A' ' 13' ' ' ASN . 0.9 OUTLIER 68.5 25.61 6.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.831 0.453 . . . . 0.0 110.849 -179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.32 158.51 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.604 0.716 . . . . 0.0 111.69 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -126.4 149.93 48.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.522 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -7.49 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.309 0.576 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.04 -9.22 58.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.511 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.9 t -102.5 125.75 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.035 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.494 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.5 t -90.88 149.01 22.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 111.471 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.02 -44.9 75.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.079 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.5 68.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.438 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 62.2 tp -67.93 -52.84 31.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.053 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 40.5 mm -57.71 -50.94 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.023 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' A' ' 36' ' ' CYS . 3.8 mm? -58.74 -45.41 89.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.397 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.61 -40.11 94.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.688 0.28 . . . . 0.0 111.116 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 37.4 mt -61.9 -46.35 89.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.538 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.465 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 68.8 m-85 -76.68 -32.83 58.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.274 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -61.12 -28.6 69.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.096 0.474 . . . . 0.0 110.625 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -42.17 99.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.658 176.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.17 -48.69 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.844 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.06 170.55 35.47 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.161 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.68 122.04 8.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.779 2.319 . . . . 0.0 112.091 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.9 p -77.62 136.61 38.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.464 0.649 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.31 -48.03 7.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -154.82 155.73 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.498 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.644 ' HB3' HD13 ' A' ' 24' ' ' LEU . 9.8 p -131.11 123.22 28.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 123.381 0.425 . . . . 0.0 110.409 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.762 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.3 mmmm -124.72 106.55 10.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.098 0.475 . . . . 0.0 110.723 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.511 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 53.3 tpp -92.14 105.78 17.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.06 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 mm -101.88 85.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.513 . . . . 0.0 110.373 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.511 ' HG2' ' HG3' ' A' ' 38' ' ' MET . 92.7 mmm -88.26 119.7 28.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.911 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.27 129.43 44.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.193 0.521 . . . . 0.0 110.494 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 t -102.5 6.49 40.02 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.358 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.07 -46.48 7.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.126 0.489 . . . . 0.0 110.598 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.82 6.96 0.3 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.35 148.08 32.19 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.8 t70 -59.72 115.13 11.47 Favored Pre-proline 0 C--O 1.234 0.281 0 O-C-N 123.474 0.484 . . . . 0.0 110.221 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.3 Cg_exo -68.31 141.81 52.95 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.047 2.498 . . . . 0.0 112.254 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.87 154.23 42.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.611 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.738 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -129.81 134.96 47.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.762 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 66.8 m-85 -95.29 116.36 28.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.538 HG12 ' HB2' ' A' ' 9' ' ' LEU . 4.0 p -118.59 111.89 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.308 0.575 . . . . 0.0 110.097 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -98.04 139.5 33.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.864 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.446 ' CD2' HD22 ' A' ' 9' ' ' LEU . 28.3 m-85 -104.48 156.84 17.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.052 0.453 . . . . 0.0 110.529 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.45 -9.38 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.38 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.2 121.68 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.291 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -63.26 -29.47 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 57' ' ' ARG . 27.1 mtm105 -60.23 -43.4 96.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.47 -23.05 34.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.262 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -61.05 -39.32 89.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.883 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HA ' ' CH2' ' A' ' 80' ' ' TRP . . . -64.51 -44.32 91.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.241 177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.9 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.669 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -54.06 -52.52 60.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.221 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.38 -20.35 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.63 -37.31 15.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -102.68 -15.62 16.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -73.02 111.03 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.655 0.264 . . . . 0.0 110.733 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.11 10.7 55.86 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.743 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.0 ttt180 -82.88 144.66 29.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 111.116 -173.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -77.05 98.98 5.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.716 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.504 HD12 HG12 ' A' ' 76' ' ' VAL . 70.2 mt -120.49 121.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.555 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt 66.0 -78.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 111.846 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.78 27.31 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -140.52 143.71 35.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.39 108.58 8.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG12 HD12 ' A' ' 71' ' ' ILE . 24.7 m -79.1 131.11 35.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.7 mttp -123.63 121.07 34.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.062 0.458 . . . . 0.0 110.975 -176.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.647 HG23 HG22 ' A' ' 11' ' ' VAL . 21.8 t -109.49 119.84 59.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.887 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -124.17 164.34 19.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.401 ' CH2' ' HA ' ' A' ' 60' ' ' ALA . 97.6 m95 -73.07 113.74 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.528 0.204 . . . . 0.0 110.729 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.905 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -97.34 115.66 28.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.018 0.437 . . . . 0.0 110.824 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -100.56 -170.07 1.81 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.064 176.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.3 m -64.59 113.1 9.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.906 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.16 90.76 0.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.861 2.374 . . . . 0.0 111.287 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -92.34 90.69 7.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.672 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m -83.47 56.16 3.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.649 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -130.91 41.3 3.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.165 0.507 . . . . 0.0 111.328 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -85.6 -15.82 41.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.742 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 74.07 -48.99 0.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.48 0.712 . . . . 0.0 111.766 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -129.57 175.83 8.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 t -133.68 -1.78 3.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.718 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.572 179.43 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mmm . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.354 0.121 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.28 -22.68 67.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.343 0.592 . . . . 0.0 110.673 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.4 -30.04 47.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.312 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.81 -21.68 24.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.98 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm -122.01 80.69 42.84 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.068 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.609 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 57.2 Cg_endo -71.28 126.03 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.39 2.06 . . . . 0.0 112.618 -177.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.22 -15.28 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.185 0.517 . . . . 0.0 110.08 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.462 HG21 ' HG2' ' A' ' 52' ' ' GLU . 3.0 m -88.33 119.68 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.379 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.812 HD23 ' HB2' ' A' ' 59' ' ' ALA . 3.8 mm? -98.76 123.23 42.85 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.849 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 82.4 t80 -91.69 105.61 17.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.756 ' HB ' ' HG ' ' A' ' 49' ' ' CYS . 59.2 t -106.91 121.08 59.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.81 176.42 17.58 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.199 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 67.16 50.71 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.089 0.556 . . . . 0.0 111.011 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -84.5 148.23 26.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.168 0.508 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.754 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.6 t -97.81 151.53 20.11 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.681 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -9.11 57.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -174.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.36 4.87 31.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.287 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.754 HG23 ' HB3' ' A' ' 15' ' ' SER . 97.4 t -81.42 145.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 t -125.88 153.71 43.77 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.274 -177.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' HG2' HD23 ' A' ' 24' ' ' LEU . 35.5 tt0 -50.46 -47.21 56.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.631 0.372 . . . . 0.0 111.192 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.51 63.87 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.919 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tt -77.55 -46.38 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.962 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 HD11 HG11 ' A' ' 18' ' ' VAL . 47.0 mm -60.59 -45.48 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.406 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.2 mm? -55.16 -43.95 74.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.948 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -68.68 -48.8 63.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -176.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.96 -47.08 84.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -176.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.53 -22.89 43.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.501 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.5 t -64.26 -31.24 72.36 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.018 0.437 . . . . 0.0 110.299 177.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.59 -30.02 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.587 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -89.43 -46.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 -178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.72 165.29 37.42 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.259 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 41.7 Cg_endo -68.18 122.81 9.9 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.563 2.176 . . . . 0.0 111.906 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.4 m -87.46 137.2 32.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.123 0.487 . . . . 0.0 111.054 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.457 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 64.3 tttp -94.17 -57.73 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.02 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' ND2' ' HG2' ' A' ' 34' ' ' LYS . 60.7 m-80 -137.0 127.07 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.06 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.434 ' SG ' HG22 ' A' ' 51' ' ' VAL . 57.5 m -122.6 104.65 9.49 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -101.7 137.65 39.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.832 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttt -113.14 101.84 9.82 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.009 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mm -82.19 84.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 ptm -81.71 84.59 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.075 0.94 . . . . 0.0 109.665 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.38 71.06 6.07 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.055 -174.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -83.8 -5.01 59.1 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.48 -171.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.98 14.97 22.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.155 0.503 . . . . 0.0 109.888 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.68 -101.06 0.59 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.758 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.24 -167.98 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.574 0.226 . . . . 0.0 111.31 -175.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 m-20 -58.72 123.1 66.14 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.654 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 27.8 Cg_exo -62.68 152.95 75.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.14 2.56 . . . . 0.0 113.067 -176.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.794 ' HA ' HD23 ' A' ' 14' ' ' LEU . 30.5 p90 -145.97 167.18 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.526 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.756 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -137.9 148.11 45.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.986 0.422 . . . . 0.0 111.63 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.6 110.9 22.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.544 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.671 HG13 ' HB2' ' A' ' 9' ' ' LEU . 3.6 p -113.12 111.87 37.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.351 0.596 . . . . 0.0 110.435 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.462 ' HG2' HG21 ' A' ' 8' ' ' THR . 35.9 mt-10 -103.03 130.59 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.525 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.56 157.22 16.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.484 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 89.3 m-70 -79.47 -21.78 44.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.64 106.78 10.37 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.208 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -65.05 -32.25 73.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.518 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -66.51 -29.52 69.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.008 0.432 . . . . 0.0 110.325 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -86.18 -23.98 26.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.812 ' HB2' HD23 ' A' ' 9' ' ' LEU . . . -61.69 -33.51 74.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 110.346 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.498 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -40.12 81.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.86 93.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.443 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 3.1 tm? -54.7 -40.51 69.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.29 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.66 -59.36 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.347 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.0 -23.99 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -168.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.1 mmm -100.43 -4.19 29.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.457 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 26.4 t-20 -71.64 112.08 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.677 0.275 . . . . 0.0 110.856 -177.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.32 11.35 64.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.1 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.512 ' O ' HG21 ' A' ' 76' ' ' VAL . 24.9 ttt180 -80.26 140.17 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 110.753 -174.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -81.17 114.06 19.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.707 HD12 HG11 ' A' ' 76' ' ' VAL . 65.4 mt -120.76 119.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.141 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.3 mmt 66.51 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.92 12.33 1.1 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.887 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -136.5 142.78 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.914 0.387 . . . . 0.0 110.184 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.96 109.57 16.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.707 HG11 HD12 ' A' ' 71' ' ' ILE . 15.4 m -71.28 148.44 10.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.266 0.555 . . . . 0.0 110.797 -176.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 59.2 mtpt -124.15 133.84 53.47 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.993 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.541 HG22 HG21 ' A' ' 11' ' ' VAL . 41.9 t -123.49 110.21 25.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.52 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.23 146.54 47.74 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -73.22 107.7 5.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.309 0.576 . . . . 0.0 110.251 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.849 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -87.19 103.05 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.155 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.609 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 1.9 p -70.15 113.29 7.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -109.33 104.29 54.78 Favored Pre-proline 0 C--N 1.318 -0.795 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.241 177.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.01 163.31 33.31 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.326 2.684 . . . . 0.0 112.266 -178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -92.97 84.57 4.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.253 0.549 . . . . 0.0 109.807 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 t -84.65 81.12 9.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.558 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.808 ' HG3' ' H ' ' A' ' 88' ' ' LYS . 8.4 pt20 -108.24 -81.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.515 -177.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.808 ' H ' ' HG3' ' A' ' 87' ' ' GLN . 23.6 ttmm -105.62 -52.93 2.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.694 0.283 . . . . 0.0 110.844 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -95.0 71.39 3.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 0.0 111.441 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.51 -47.84 10.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.352 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.6 m -124.7 124.24 41.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.643 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.723 -178.699 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -62.53 -27.72 69.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -69.47 -17.18 63.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.485 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -85.46 -23.08 27.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 110.963 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm -129.14 71.94 81.99 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.1 132.07 25.26 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.463 2.109 . . . . 0.0 112.387 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 98.1 mttt -94.08 9.26 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.42 . . . . 0.0 110.339 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.403 HG21 ' HG2' ' A' ' 52' ' ' GLU . 28.9 m -110.61 118.99 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 59' ' ' ALA . 3.9 mm? -92.95 133.37 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.516 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 64.4 t80 -102.78 96.95 7.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.576 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 57.3 t -100.13 118.19 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.432 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.42 171.88 15.07 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.471 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.923 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 5.5 t30 68.2 49.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 110.637 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD23 HG13 ' A' ' 18' ' ' VAL . 87.3 mt -85.52 130.9 34.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.84 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.445 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.2 t -92.06 166.66 12.55 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.876 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -75.08 -9.84 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.43 -17.17 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.764 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.445 HG23 ' HB3' ' A' ' 15' ' ' SER . 77.8 t -86.65 107.99 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.687 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -87.42 149.4 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.9 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.044 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.24 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.896 -178.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.553 ' HG ' ' HE3' ' A' ' 72' ' ' MET . 2.6 tm? -85.38 -51.24 6.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.417 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -59.19 -57.04 13.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.285 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 36' ' ' CYS . 37.4 mt -60.79 -31.29 70.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.613 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.39 -46.95 68.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.616 ' HB3' ' HE2' ' A' ' 66' ' ' MET . 46.3 mt -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.119 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 59.0 m-85 -73.7 -34.87 65.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.474 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -65.45 -25.23 67.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.078 0.466 . . . . 0.0 110.602 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -71.33 -23.52 61.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.441 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.45 HG21 ' HB3' ' A' ' 62' ' ' ALA . 45.8 mm -93.57 -53.22 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.1 177.51 23.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.031 -176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -76.09 110.15 3.02 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.944 2.429 . . . . 0.0 112.246 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.37 129.52 37.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.654 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -89.32 -53.04 4.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.26 0.552 . . . . 0.0 110.159 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -162.27 144.96 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.422 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.564 ' HB2' HD23 ' A' ' 24' ' ' LEU . 43.7 t -109.16 127.01 53.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.32 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 34.0 tptt -110.94 130.36 55.61 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.53 107.43 11.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.4 mm -102.76 109.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.715 -174.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.41 110.21 17.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.41 0.624 . . . . 0.0 110.244 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.52 113.26 25.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.944 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 t -102.38 6.93 40.52 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.708 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.53 -72.72 0.56 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.089 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.14 12.82 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.785 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -110.08 156.93 19.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.923 ' HB2' ' HA ' ' A' ' 13' ' ' ASN . 0.8 OUTLIER -73.23 128.84 86.94 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 172.597 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.5 130.85 34.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.005 2.47 . . . . 0.0 111.894 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -124.05 150.58 44.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.381 0.61 . . . . 0.0 111.185 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -124.03 136.29 54.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.817 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.623 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 88.0 m-85 -96.0 107.9 20.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.835 174.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -101.45 105.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.045 0.45 . . . . 0.0 109.872 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG2' HG21 ' A' ' 8' ' ' THR . 35.8 mt-10 -93.01 129.39 38.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -176.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 53.5 m-85 -107.85 164.98 11.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.215 0.531 . . . . 0.0 110.839 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -92.42 -7.81 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.109 172.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.6 tm-20 -140.54 114.53 9.04 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.104 -166.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.45 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 83.4 t60 -79.0 -30.18 44.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.672 -175.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 32.0 ttt180 -62.35 -36.57 82.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 110.32 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -82.1 -33.19 29.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.189 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB3' HD22 ' A' ' 9' ' ' LEU . . . -59.37 -33.57 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.68 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.13 79.92 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.812 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.61 84.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.597 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' HB3' HG21 ' A' ' 30' ' ' ILE . . . -58.22 -42.47 86.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.757 HD11 HG11 ' A' ' 78' ' ' VAL . 7.3 tp -57.74 -55.07 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.92 79.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.958 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.03 -33.65 63.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.721 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.616 ' HE2' ' HB3' ' A' ' 26' ' ' LEU . 36.7 tpp -86.42 -40.96 14.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.543 -175.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.654 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.3 t30 -70.38 134.81 48.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.512 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 11.0 85.61 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.484 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -100.05 127.13 46.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.02 112.57 3.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.979 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.5 mt -135.44 125.53 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.931 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.553 ' HE3' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 58.99 26.27 14.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.071 0.463 . . . . 0.0 110.914 -178.176 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.25 70.14 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.442 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.755 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 9.5 mmpt? -116.19 160.46 20.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.274 0.559 . . . . 0.0 111.309 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -91.94 110.17 21.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.541 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.0 146.9 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.666 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttp -129.29 120.96 26.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.757 HG11 HD11 ' A' ' 63' ' ' LEU . 18.5 t -115.2 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.027 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -116.41 147.41 41.69 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.623 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -86.7 102.53 14.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.362 0.601 . . . . 0.0 109.693 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -71.0 94.49 1.09 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.952 -171.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.9 p -83.58 -155.88 0.19 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.836 174.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -70.04 124.68 91.17 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 176.057 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 2.9 Cg_exo -75.56 74.59 4.23 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.046 2.497 . . . . 0.0 111.994 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.446 ' C ' ' HG ' ' A' ' 86' ' ' SER . 37.3 t -73.72 148.38 42.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.319 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.446 ' HG ' ' C ' ' A' ' 85' ' ' SER . 51.2 p 50.48 37.51 16.0 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.793 0.806 . . . . 0.0 111.179 -179.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -142.93 64.7 1.35 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.506 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -75.62 79.12 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.114 -173.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.67 68.43 9.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.455 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.49 -30.97 23.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.008 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -115.23 144.75 43.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.6 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.349 -179.176 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.444 ' HG3' ' HE2' ' A' ' 5' ' ' MET . 15.6 tpt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.474 0.178 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.07 -18.61 64.54 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.516 0.674 . . . . 0.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -47.24 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.66 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -89.87 -2.5 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.433 -172.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.444 ' HE2' ' HG3' ' A' ' 1' ' ' MET . 56.9 mtm -131.67 73.73 78.77 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.464 177.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.76 98.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.786 2.324 . . . . 0.0 112.053 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 31.1 ttmt -91.45 -4.48 55.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.501 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -108.82 131.37 55.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.967 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.818 HD23 ' HB3' ' A' ' 59' ' ' ALA . 4.1 mm? -100.25 129.98 46.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.547 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.549 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 24.3 t80 -94.65 106.93 18.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.344 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 78' ' ' VAL . 45.0 t -111.23 122.53 65.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.23 -175.89 20.8 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.653 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.67 48.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.476 0.71 . . . . 0.0 111.248 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 48' ' ' TYR . 4.5 mm? -91.57 171.64 9.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.697 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.74 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.8 t -139.24 147.54 41.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -65.07 -13.44 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.407 ' CG ' ' HG ' ' A' ' 15' ' ' SER . 0.9 OUTLIER -99.88 8.07 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 178.144 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.74 HG23 ' HB3' ' A' ' 15' ' ' SER . 93.3 t -95.94 116.07 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -75.13 144.12 42.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.586 0.708 . . . . 0.0 111.102 -178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' CD ' ' HG ' ' A' ' 36' ' ' CYS . 40.7 tt0 -64.85 -31.1 72.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.625 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.56 71.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.175 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -72.87 -56.47 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.397 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.79 -46.57 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.93 -32.14 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.413 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.41 -46.0 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.632 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.79 -49.67 72.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 92.9 m-85 -74.68 -31.92 62.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.5 t -65.1 -29.11 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.186 0.517 . . . . 0.0 110.271 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.83 -18.55 62.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 HG21 ' N ' ' A' ' 62' ' ' ALA . 45.2 mm -99.38 -52.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.63 169.36 24.63 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.717 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.85 116.25 4.36 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.041 2.494 . . . . 0.0 112.148 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.02 137.75 45.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.25 0.548 . . . . 0.0 111.048 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 tttt -106.14 -55.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.811 179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -156.45 158.85 38.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.449 ' HG ' ' CD ' ' A' ' 20' ' ' GLU . 8.5 p -138.24 117.14 12.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.966 0.412 . . . . 0.0 110.841 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.811 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 30.4 mmmt -101.12 106.98 18.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 ptm -92.18 99.09 11.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.488 0.661 . . . . 0.0 110.856 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -92.94 85.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.234 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 mmt -86.27 141.32 29.36 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.521 176.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.621 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.9 p-10 -62.4 131.95 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.223 0.535 . . . . 0.0 110.121 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -86.07 -24.69 26.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.941 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -175.45 25.88 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.385 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 147.1 -177.91 25.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -172.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 39.1 m-80 76.25 169.67 0.26 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.241 0.616 . . . . 0.0 110.273 -173.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -90.63 134.65 30.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.872 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -80.48 140.24 13.34 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.005 2.47 . . . . 0.0 112.47 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' HA ' HD21 ' A' ' 14' ' ' LEU . 22.1 p90 -153.65 166.53 32.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.319 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.44 140.93 46.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.811 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 76.1 m-85 -100.66 105.44 16.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.924 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.574 HG23 ' HB2' ' A' ' 9' ' ' LEU . 14.4 m -101.36 121.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.193 0.521 . . . . 0.0 110.57 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -100.74 137.9 38.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.89 -178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 38.0 m-85 -106.3 175.6 5.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.696 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -99.64 -12.36 20.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.477 0.656 . . . . 0.0 109.246 170.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.4 tm-20 -135.88 120.36 18.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.156 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -76.7 -33.78 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.658 -173.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.49 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.3 ttt180 -65.43 -36.53 84.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.236 0.541 . . . . 0.0 110.263 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -73.81 -34.2 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.809 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.818 ' HB3' HD23 ' A' ' 9' ' ' LEU . . . -62.75 -33.11 74.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.607 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.01 -50.5 68.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.9 92.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -59.42 -46.01 89.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.49 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.501 HD12 HG12 ' A' ' 78' ' ' VAL . 4.1 tt -63.1 -43.98 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.794 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.27 72.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.82 -35.11 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.1 mmm -87.82 -23.5 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.58 110.72 4.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.16 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.84 10.26 56.61 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.167 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' HG21 ' A' ' 76' ' ' VAL . 18.1 tpt180 -78.22 166.32 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -119.6 107.17 12.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 HD13 HG13 ' A' ' 76' ' ' VAL . 3.4 mp -117.79 124.18 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.423 ' HG3' HG21 ' A' ' 18' ' ' VAL . 9.7 mmt 63.63 18.38 11.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.357 0.411 . . . . 0.0 111.335 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.89 -4.42 85.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 13.4 mptt -90.3 138.16 31.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 69' ' ' ARG . 16.8 m -86.13 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.189 0.519 . . . . 0.0 110.333 -175.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.8 mttp -127.08 122.12 33.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.954 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 11' ' ' VAL . 28.5 t -113.84 123.42 69.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.143 -176.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -136.84 154.37 50.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.821 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.474 ' CD1' HD11 ' A' ' 63' ' ' LEU . 21.6 m0 -69.67 119.4 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.361 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -91.58 105.22 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -86.46 139.07 31.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t -126.35 104.27 25.24 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-O 121.305 0.574 . . . . 0.0 110.694 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.4 120.75 7.55 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.921 2.414 . . . . 0.0 111.547 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -78.34 71.3 4.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 0.0 110.706 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.3 m -83.35 118.77 23.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.707 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -131.13 97.94 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -78.95 65.94 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.622 . . . . 0.0 109.946 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -68.97 -23.97 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.073 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -106.5 -171.85 1.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.209 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.4 m -86.22 -41.48 14.61 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 119.12 -0.467 . . . . 0.0 111.72 -174.238 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptm . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.72 ' HA ' ' HE3' ' A' ' 5' ' ' MET . 47.7 mt-10 -70.63 -24.79 62.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.71 80.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.475 170.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' C ' ' HD3' ' A' ' 6' ' ' PRO . 76.3 mm-40 -79.68 27.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.46 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.72 ' HE3' ' HA ' ' A' ' 2' ' ' GLU . 52.3 mtm -124.34 72.06 57.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.515 ' HG2' ' HB2' ' A' ' 80' ' ' TRP . 15.4 Cg_exo -69.46 120.98 7.74 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.965 2.443 . . . . 0.0 112.824 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -86.38 -15.05 41.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -94.48 125.65 39.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.079 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.792 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.0 mm? -94.1 139.11 31.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.058 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' HD2' ' CE2' ' A' ' 50' ' ' PHE . 79.3 t80 -105.15 96.36 6.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.083 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.68 HG22 HG22 ' A' ' 78' ' ' VAL . 39.0 t -99.45 112.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.252 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.14 21.22 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.962 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 69.62 32.66 3.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.146 0.557 . . . . 0.0 111.36 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.589 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 57.0 mt -72.38 154.21 41.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.914 0.388 . . . . 0.0 109.962 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.613 ' OG ' ' HD3' ' A' ' 74' ' ' LYS . 3.5 m -122.27 172.92 7.95 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.59 -23.36 63.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.689 0.757 . . . . 0.0 108.963 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.634 ' HB3' ' HE1' ' A' ' 72' ' ' MET . 6.1 m-20 -74.31 -18.15 60.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.037 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG13 HD22 ' A' ' 14' ' ' LEU . 57.3 t -85.68 130.37 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -106.95 144.91 32.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.36 -37.77 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.935 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.405 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 26' ' ' LEU . 48.4 tp -71.16 -52.05 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.547 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.84 -51.7 49.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.68 -29.99 70.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.434 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -65.67 -43.0 90.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.023 0.439 . . . . 0.0 110.281 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -58.37 -46.83 85.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.978 177.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' HD2' ' HB3' ' A' ' 62' ' ' ALA . 61.2 m-85 -73.29 -35.1 66.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.63 -24.57 67.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.37 -24.05 63.83 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.562 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.5 -49.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.51 158.21 28.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.617 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.7 124.69 8.96 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.979 2.452 . . . . 0.0 112.637 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -97.97 146.02 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.857 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.682 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 41.2 pttt -102.03 -31.11 10.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.852 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -151.53 148.69 28.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.588 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.7 p -132.03 112.69 12.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.25 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 mmmm -89.91 106.65 18.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.204 0.526 . . . . 0.0 110.139 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 95.0 mmm -91.44 98.7 11.84 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.887 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.479 HG22 ' CZ ' ' A' ' 48' ' ' TYR . 45.3 mm -83.66 105.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.282 -178.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtm -93.2 128.51 39.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.464 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.07 144.28 31.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.754 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 t -101.13 -4.03 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -173.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.07 -75.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.925 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.76 64.47 0.17 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.94 170.2 9.23 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -87.34 113.61 54.77 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 171.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.589 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 20.5 Cg_exo -66.61 152.0 81.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.304 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CZ ' HG22 ' A' ' 39' ' ' ILE . 19.0 p90 -135.34 147.15 49.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.2 t -120.2 136.37 54.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 -175.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.881 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 79.5 m-85 -103.66 115.54 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.15 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.504 HG22 ' HB2' ' A' ' 9' ' ' LEU . 15.0 m -115.03 123.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.887 0.375 . . . . 0.0 111.005 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -98.2 120.43 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.556 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 22.7 m-85 -87.79 158.14 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.748 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.682 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 80.0 m-70 -86.24 -8.6 57.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.286 173.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -139.03 114.81 10.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.45 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -66.31 -30.13 70.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.71 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -63.96 -34.76 78.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -85.27 -28.61 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.293 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.792 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -60.25 -40.1 89.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.272 174.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.84 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.589 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.04 88.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.726 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB3' ' HD2' ' A' ' 27' ' ' PHE . . . -63.92 -37.6 88.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.595 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.438 HD12 ' HD1' ' A' ' 80' ' ' TRP . 9.9 tt -59.51 -51.19 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.244 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.13 86.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.02 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.32 -33.34 49.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.4 ' HB3' HG23 ' A' ' 78' ' ' VAL . 13.6 tpt -91.54 -25.56 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.658 0.266 . . . . 0.0 111.353 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -61.65 110.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 10.13 51.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.119 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.542 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 11.5 tpt180 -71.64 152.64 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.607 ' HD3' ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.59 127.17 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.553 HG22 ' HG2' ' A' ' 72' ' ' MET . 44.4 mt -138.41 117.76 14.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.634 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 93.0 mmm 69.04 -5.03 1.11 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.746 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.56 -9.39 6.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.9 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.613 ' HD3' ' OG ' ' A' ' 15' ' ' SER . 28.5 mtpp -117.28 166.66 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -96.03 120.43 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.396 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.514 HG12 HD11 ' A' ' 71' ' ' ILE . 17.4 m -81.07 139.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.0 mttm -123.88 118.38 26.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.256 0.551 . . . . 0.0 110.785 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.68 HG22 HG22 ' A' ' 11' ' ' VAL . 43.8 t -109.31 107.22 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.536 -176.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -110.39 -176.99 3.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.515 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . 10.0 p-90 -111.16 133.82 53.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.832 0.349 . . . . 0.0 110.225 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . -97.47 102.41 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.987 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.94 139.04 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.312 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.1 p -111.26 104.57 56.31 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.657 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.79 13.27 2.74 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.108 2.538 . . . . 0.0 112.882 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -82.3 56.41 3.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.136 0.493 . . . . 0.0 110.123 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.7 m -85.54 126.56 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.481 -174.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 58.69 45.77 15.38 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.553 175.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.39 -5.38 52.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.071 0.462 . . . . 0.0 110.627 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.05 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.904 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.44 125.09 30.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.093 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.4 t -132.5 21.56 4.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.666 0.746 . . . . 0.0 109.871 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.222 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.11 -22.34 33.41 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 110.176 -178.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.56 -14.05 62.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.985 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -89.03 14.57 10.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.58 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.423 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 66.4 mtt -115.68 97.14 48.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.117 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 5' ' ' MET . 14.3 Cg_endo -56.35 109.8 0.49 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.214 2.609 . . . . 0.0 113.144 -173.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.46 -10.17 25.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -112.24 132.71 54.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.876 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.591 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -95.8 127.69 42.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 34.3 t80 -90.8 97.19 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.733 HG23 ' HZ ' ' A' ' 27' ' ' PHE . 43.7 t -114.63 112.83 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 111.56 -175.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -108.31 127.66 8.75 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.66 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 8.0 p30 177.87 -7.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.638 0.257 . . . . 0.0 110.61 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.616 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 89.6 mt -55.93 140.37 43.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.389 0.614 . . . . 0.0 111.619 -170.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 m -147.3 178.89 8.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.357 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -55.38 -46.63 76.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.69 14.04 9.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.87 130.75 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 22' ' ' LEU . 4.0 t -118.62 153.77 33.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -53.67 -48.31 69.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.729 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -36.91 71.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.584 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.502 ' O ' HD22 ' A' ' 26' ' ' LEU . 60.9 tp -66.51 -53.99 28.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.057 0.456 . . . . 0.0 110.109 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.68 -49.08 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.291 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -64.68 -33.42 75.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.333 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -64.55 -40.46 95.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 0.0 110.032 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.0 mm? -63.57 -29.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.245 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.733 ' HZ ' HG23 ' A' ' 11' ' ' VAL . 55.6 m-85 -87.25 -28.22 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.478 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -71.42 -20.19 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.007 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 3.4 pt20 -75.61 -11.97 60.12 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.03 -50.7 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.26 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.42 161.47 30.14 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.07 116.5 4.03 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.861 2.374 . . . . 0.0 112.209 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -77.47 136.66 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -100.31 -47.48 4.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.59 153.56 34.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.212 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.443 ' HB3' HD21 ' A' ' 24' ' ' LEU . 12.0 p -128.67 125.69 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.482 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.918 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.2 mmmt -111.06 106.19 15.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 ttt -88.7 114.1 24.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.908 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm -106.0 101.35 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.234 0.54 . . . . 0.0 110.079 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 ptm -110.56 113.89 26.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -79.98 140.93 36.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.38 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -94.37 5.58 51.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.232 0.539 . . . . 0.0 110.024 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.17 -7.04 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.82 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.78 -117.38 5.15 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.14 -168.05 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.039 0.935 . . . . 0.0 112.754 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -90.83 113.94 59.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.092 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.616 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.6 Cg_exo -79.49 146.34 19.24 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.108 2.539 . . . . 0.0 112.075 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.506 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 15.9 p90 -129.26 162.68 27.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.031 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' HB2' HD13 ' A' ' 14' ' ' LEU . 42.6 t -134.07 139.31 45.89 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.366 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.918 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 89.9 m-85 -95.53 133.48 39.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.404 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.48 121.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.999 0.428 . . . . 0.0 111.036 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.07 130.49 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.602 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 14.6 m-85 -102.04 145.52 29.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.921 0.391 . . . . 0.0 110.611 176.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.117 174.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -125.4 109.83 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.669 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.64 -32.57 69.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.372 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 57' ' ' ARG . 40.1 mtp180 -67.57 -36.27 80.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -79.36 -21.23 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.327 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.591 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.94 -32.63 74.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.472 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.734 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -64.81 -46.34 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.122 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.92 88.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.735 HD12 HG13 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -61.12 -57.29 13.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.725 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.52 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.907 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 -33.19 61.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.59 ' HB3' HG23 ' A' ' 78' ' ' VAL . 42.7 tpp -92.05 -39.48 11.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.716 -174.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.697 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.0 t30 -63.98 125.38 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 111.099 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.17 66.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.48 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.587 ' O ' HG21 ' A' ' 76' ' ' VAL . 72.9 ttt180 -79.57 156.61 27.64 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -105.03 119.24 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 0.0 110.113 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.468 HD11 HG12 ' A' ' 76' ' ' VAL . 71.7 mt -137.49 126.77 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.017 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.439 ' HG2' HG23 ' A' ' 71' ' ' ILE . 25.7 mmt 62.75 23.71 14.13 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.513 0.508 . . . . 0.0 110.564 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.57 2.94 57.15 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.6 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -105.48 167.02 10.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.415 . . . . 0.0 110.737 -176.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.36 111.74 23.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.513 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.66 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 11.8 m -84.78 134.51 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.676 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.4 mtmm -126.51 134.01 51.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.735 HG13 HD12 ' A' ' 63' ' ' LEU . 26.2 t -128.75 109.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.246 0.546 . . . . 0.0 109.98 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -120.85 157.57 29.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.422 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.734 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.7 m95 -77.59 112.97 14.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.65 0.262 . . . . 0.0 110.515 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -83.53 91.98 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.269 0.557 . . . . 0.0 109.652 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.2 p -102.99 142.53 33.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.059 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -118.49 103.67 48.67 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 170.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.78 158.3 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.411 2.074 . . . . 0.0 112.973 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 m -63.91 114.75 4.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.336 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -51.69 -41.43 61.42 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.232 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.1 -73.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.93 172.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -122.66 -69.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -138.42 151.81 47.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.548 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -96.13 -9.43 30.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 111.07 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.33 132.38 34.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.932 179.03 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.98 0.419 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.16 -33.36 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.335 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.912 ' HB3' ' HA ' ' A' ' 84' ' ' PRO . 6.2 p-10 -76.28 -3.38 36.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.365 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.29 -20.13 28.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.228 0.537 . . . . 0.0 109.837 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.9 mtt -131.29 80.83 67.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.958 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 45.9 Cg_endo -70.52 140.44 39.82 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.509 2.14 . . . . 0.0 112.538 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -116.46 9.37 14.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 109.857 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.532 ' HG1' ' HG2' ' A' ' 52' ' ' GLU . 12.1 m -112.32 128.82 56.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.365 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.29 123.28 39.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.965 0.412 . . . . 0.0 109.946 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.706 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 53.2 t80 -96.67 98.54 10.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.596 HG22 HG23 ' A' ' 78' ' ' VAL . 59.2 t -98.77 112.51 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.05 167.07 12.59 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.272 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.585 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 23.1 m120 74.35 54.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.398 0.679 . . . . 0.0 111.776 176.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD12 ' HB2' ' A' ' 49' ' ' CYS . 85.1 mt -82.76 -176.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 177.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.763 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 46.3 t -148.37 162.98 38.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.562 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -16.53 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 109.857 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -78.18 -21.98 49.32 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.192 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 15' ' ' SER . 74.2 t -82.97 139.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.371 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -126.7 149.07 49.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.158 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -25.81 65.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.837 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.19 -51.69 6.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.879 0.371 . . . . 0.0 110.592 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.57 -48.87 84.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.111 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -65.85 -29.09 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.471 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.08 -46.6 83.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.266 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.15 -45.67 92.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.686 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -67.83 -36.63 80.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -63.99 -26.7 68.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.228 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.43 -20.14 60.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 58' ' ' HIS . 35.8 mm -101.04 -51.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.377 -177.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.6 158.34 27.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.447 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 55' ' ' GLU . 35.4 Cg_exo -61.16 119.53 6.73 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.156 2.57 . . . . 0.0 111.956 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.3 m -80.34 135.38 36.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.702 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.09 -46.49 10.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.445 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -165.29 167.19 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.447 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.691 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.6 p -137.63 124.45 21.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.157 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -125.95 105.66 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.034 0.445 . . . . 0.0 110.805 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 61.7 mtm -90.93 109.5 20.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.866 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -83.93 102.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -81.64 84.76 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.279 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.31 142.11 58.51 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.952 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -100.82 -31.72 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.118 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.98 54.53 0.0 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.044 0.449 . . . . 0.0 110.624 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.94 -52.07 0.62 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.446 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 3.4 p30 -160.21 -85.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.995 0.426 . . . . 0.0 111.03 175.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.585 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 5.2 t70 -150.86 124.41 4.33 Favored Pre-proline 0 C--N 1.31 -1.12 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -46.63 142.96 9.36 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.042 3.162 . . . . 0.0 113.833 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -140.99 165.46 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.631 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.515 ' HB2' HD12 ' A' ' 14' ' ' LEU . 43.3 t -136.39 142.46 43.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.198 0.523 . . . . 0.0 111.28 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -100.86 119.22 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.999 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -123.79 114.91 43.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.532 ' HG2' ' HG1' ' A' ' 8' ' ' THR . 43.4 mt-10 -99.36 146.02 26.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.87 0.367 . . . . 0.0 111.069 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' H ' ' A' ' 55' ' ' GLU . 3.8 m-85 -113.65 152.59 30.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.69 -7.59 58.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' HG3' ' HD1' ' A' ' 58' ' ' HIS . 49.4 mm-40 -118.16 97.32 5.74 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.981 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -65.87 -30.12 70.67 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -67.14 -46.36 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.784 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.505 ' HB3' HG22 ' A' ' 30' ' ' ILE . 23.4 m80 -79.41 -16.89 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.491 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.18 74.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.45 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.8 85.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.02 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.12 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.918 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.32 89.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.473 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HA ' HG11 ' A' ' 78' ' ' VAL . 10.3 tt -61.87 -53.05 61.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.562 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.6 -14.69 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ttt -116.59 -29.1 6.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.713 -0.395 . . . . 0.0 112.037 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 114.96 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 0.0 111.646 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.02 10.04 63.08 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.87 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.648 ' O ' HG23 ' A' ' 76' ' ' VAL . 74.4 ttt180 -93.15 132.26 37.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 2.7 ttmp? -79.41 121.12 24.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.253 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -128.63 115.98 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 mmt 59.99 43.95 13.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.245 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.8 -35.97 3.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.642 174.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.763 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 10.8 mmmm -95.13 148.64 22.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 111.737 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.37 109.62 20.14 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.796 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 69' ' ' ARG . 16.4 m -75.0 145.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.266 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 65.6 mttm -126.93 116.01 20.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.887 0.375 . . . . 0.0 110.282 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 11' ' ' VAL . 36.1 t -104.11 114.98 45.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.5 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -120.46 159.22 25.59 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.063 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.416 ' CE3' ' HG2' ' A' ' 6' ' ' PRO . 99.4 m95 -78.83 102.37 8.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 175.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -72.4 91.72 1.38 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.94 114.68 14.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.169 -178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 31.8 m -103.9 104.49 43.35 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.718 175.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.912 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 8.0 Cg_exo -72.88 178.13 6.81 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.064 2.509 . . . . 0.0 112.586 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.487 ' C ' ' HG ' ' A' ' 86' ' ' SER . 15.4 m -107.58 50.26 0.78 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.586 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.487 ' HG ' ' C ' ' A' ' 85' ' ' SER . 30.3 p 52.11 -94.73 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.936 0.894 . . . . 0.0 112.445 -178.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.27 93.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.208 0.528 . . . . 0.0 111.419 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -74.91 -51.97 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.485 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 53.7 69.43 0.71 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.663 0.602 . . . . 0.0 110.647 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.01 139.3 52.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.263 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.9 t -151.74 152.29 32.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.218 -177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.055 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.559 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 49.7 ttm . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.656 0.265 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.19 -17.55 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.431 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -39.66 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 1' ' ' MET . 12.3 pt-20 -86.79 7.79 25.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.1 -171.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.8 ptm -126.48 71.95 72.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 121.187 0.518 . . . . 0.0 111.013 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.536 ' HG2' ' HE3' ' A' ' 80' ' ' TRP . 11.2 Cg_exo -71.21 127.43 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.63 2.22 . . . . 0.0 111.527 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 32.6 ttmt -97.89 4.91 49.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.69 0.757 . . . . 0.0 109.4 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.507 ' HG1' ' HG2' ' A' ' 52' ' ' GLU . 88.7 m -115.76 124.28 50.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.31 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.764 HD21 ' HB3' ' A' ' 59' ' ' ALA . 3.5 mm? -98.01 143.45 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.523 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.623 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 40.5 t80 -115.77 112.84 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.78 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 1.6 m -117.01 142.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.549 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.12 179.69 16.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.859 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 75' ' ' GLU . 61.9 t30 65.48 58.6 0.82 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 110.64 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.79 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.2 mm? -98.1 -177.38 3.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.605 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.409 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 27.9 t -148.62 148.65 30.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.561 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.06 -7.45 17.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.845 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.71 -26.28 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 109.983 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG11 HD23 ' A' ' 22' ' ' LEU . 42.4 t -74.73 141.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.295 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -120.43 158.94 26.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.562 -174.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.24 -46.8 76.03 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.73 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.32 -25.8 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.689 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.519 HD23 HG11 ' A' ' 18' ' ' VAL . 60.0 tp -80.27 -50.63 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.207 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.501 HD13 HG13 ' A' ' 18' ' ' VAL . 38.0 mm -57.95 -53.56 43.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.372 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.47 -47.97 82.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.535 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -62.32 -40.73 97.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.134 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 34.3 mt -56.42 -47.57 78.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.594 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 91.3 m-85 -78.66 -30.38 46.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.209 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.4 m -65.22 -26.73 68.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.154 0.502 . . . . 0.0 110.452 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.13 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.327 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.81 -52.86 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.82 165.99 26.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.933 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.97 120.01 7.16 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.813 2.342 . . . . 0.0 112.242 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -78.44 128.45 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.654 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -88.39 -51.19 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -170.96 153.92 4.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.933 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -136.1 108.16 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.94 0.4 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -95.07 106.72 18.74 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.242 0.544 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.438 ' O ' ' HG2' ' A' ' 38' ' ' MET . 1.1 pmm? -87.36 102.37 14.45 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.52 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.2 mm -79.69 85.02 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.744 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.78 83.79 7.11 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 8.5 t70 -73.39 148.97 42.84 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.569 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 t -80.11 -25.03 40.14 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.858 -172.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.45 -41.75 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.28 77.64 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.434 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 41' ' ' ASP . 15.6 m120 -135.36 154.5 51.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.511 ' O ' ' HD2' ' A' ' 48' ' ' TYR . 6.3 t70 -84.2 128.09 63.77 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.652 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.6 Cg_endo -43.91 130.13 7.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 124.103 3.202 . . . . 0.0 114.542 -170.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.79 ' HA ' HD23 ' A' ' 14' ' ' LEU . 11.9 p90 -144.2 154.49 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.43 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -121.81 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.115 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -97.93 117.16 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.247 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' HB ' ' HB2' ' A' ' 9' ' ' LEU . 46.1 t -113.24 114.25 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 -177.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HG2' ' HG1' ' A' ' 8' ' ' THR . 49.1 mt-10 -103.87 128.75 51.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.594 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 59.5 m-85 -105.67 174.77 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.23 -7.72 24.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.4 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -139.67 119.11 12.96 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.448 -170.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -77.75 -34.83 52.28 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -172.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -70.4 -26.06 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.343 0.592 . . . . 0.0 109.811 -177.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -83.01 -35.0 26.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.764 ' HB3' HD21 ' A' ' 9' ' ' LEU . . . -59.36 -39.92 84.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.426 175.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.09 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.284 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.04 72.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.3 79.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.401 HD13 ' HD1' ' A' ' 80' ' ' TRP . 9.3 tt -54.98 -58.53 7.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.497 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.88 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.779 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -31.08 41.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.862 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.28 -24.06 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -62.11 121.1 12.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.138 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.43 9.3 60.39 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.756 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 76' ' ' VAL . 23.7 ttt180 -85.74 128.26 34.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 0.0 110.123 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.55 125.72 34.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.341 0.591 . . . . 0.0 110.454 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.548 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.4 mt -125.82 119.05 53.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.889 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.548 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 69.07 -74.59 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.877 0.735 . . . . 0.0 110.795 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.09 10.17 0.46 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.152 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 74' ' ' LYS . 67.8 mmtt -123.99 161.41 25.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 110.741 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' ASN . 37.3 tt0 -117.21 108.0 15.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.817 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 69' ' ' ARG . 18.2 m -75.25 146.22 9.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 -174.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.78 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 85.1 mttt -132.09 107.07 8.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.419 HG11 HG13 ' A' ' 11' ' ' VAL . 25.1 t -97.81 105.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.103 -176.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -115.78 149.71 38.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.536 ' HE3' ' HG2' ' A' ' 6' ' ' PRO . 2.7 p-90 -79.88 104.75 10.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.121 0.486 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.623 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -68.46 97.64 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.94 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.82 116.25 19.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 -176.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t -126.01 107.83 25.02 Favored Pre-proline 0 C--N 1.309 -1.196 0 CA-C-O 121.355 0.598 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.42 92.64 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.795 2.33 . . . . 0.0 111.003 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.5 m -63.53 108.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.169 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 m -130.29 30.24 4.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.306 0.575 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -80.09 -14.52 58.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.668 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -105.39 145.55 30.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.07 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.65 120.2 32.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.361 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.33 -35.46 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -108.49 98.25 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.137 0.494 . . . . 0.0 110.278 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.809 -178.012 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.55 -24.97 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.271 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -70.53 -27.65 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.901 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -90.27 -31.89 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.434 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 69.1 mtm -112.76 89.39 13.16 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.95 98.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.523 2.149 . . . . 0.0 111.463 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.77 -12.25 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.875 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.8 m -105.66 131.21 53.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.659 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.801 HD12 HD21 ' A' ' 63' ' ' LEU . 2.9 mm? -97.89 124.63 42.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.811 0.339 . . . . 0.0 110.144 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -91.19 100.89 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.769 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.691 HG22 HG21 ' A' ' 78' ' ' VAL . 41.1 t -103.7 117.49 49.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.33 172.38 14.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.501 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.798 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 11.0 m120 66.44 64.13 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.582 0.706 . . . . 0.0 110.673 -176.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 ' HA ' ' A' ' 48' ' ' TYR . 4.4 mm? -98.31 -169.51 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.979 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.5 m -148.17 164.3 34.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.775 0.321 . . . . 0.0 110.524 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.0 mpt_? -77.29 -13.82 59.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.187 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -98.06 7.78 45.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.449 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG11 HD22 ' A' ' 22' ' ' LEU . 62.0 t -104.92 115.12 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.502 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.627 HG21 ' H ' ' A' ' 22' ' ' LEU . 9.5 t -96.06 159.3 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.41 -50.02 66.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.74 70.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.627 ' H ' HG21 ' A' ' 19' ' ' THR . 51.9 tp -67.12 -52.63 39.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.033 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -56.72 -46.72 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.592 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.48 -49.57 72.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.25 -41.98 94.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 0.0 111.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD11 ' HE3' ' A' ' 66' ' ' MET . 3.8 mm? -63.29 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.701 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 67.9 m-85 -86.45 -32.54 20.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -57.25 -36.29 70.78 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.884 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.53 -19.61 64.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.327 . . . . 0.0 111.307 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 62' ' ' ALA . 39.9 mm -91.51 -48.36 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.35 0.595 . . . . 0.0 109.537 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.472 ' HA3' ' CD2' ' A' ' 58' ' ' HIS . . . -158.31 155.82 26.82 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.054 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 17.3 Cg_exo -69.04 123.79 10.7 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.797 2.331 . . . . 0.0 112.722 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 p -104.53 141.51 36.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.757 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 22.6 tptm -113.15 -33.19 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -128.12 147.95 50.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.464 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.36 124.23 9.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.098 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -122.45 105.72 10.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.495 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.46 104.56 16.6 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.396 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.5 mm -88.6 85.17 2.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.784 ' HA ' ' HB3' ' A' ' 47' ' ' PRO . 62.5 mtt -93.49 91.12 6.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.308 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 7.2 t70 -81.69 152.26 27.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.59 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -101.82 -19.29 15.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.253 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.56 -26.05 0.19 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.41 -72.75 1.27 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.184 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' A' ' 41' ' ' ASP . 19.0 m120 -104.39 158.26 16.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.951 0.405 . . . . 0.0 110.61 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.798 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 23.4 t70 -82.46 117.76 69.57 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 171.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.784 ' HB3' ' HA ' ' A' ' 40' ' ' MET . 2.2 Cg_endo -39.64 135.1 1.38 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.839 3.693 . . . . 0.0 114.494 -168.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.677 ' HA ' HD22 ' A' ' 14' ' ' LEU . 13.8 p90 -138.05 157.37 46.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.713 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -132.79 139.67 47.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.091 0.472 . . . . 0.0 111.453 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.03 114.6 28.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.204 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 m -113.63 133.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.738 0.304 . . . . 0.0 110.838 176.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -108.58 130.37 55.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.174 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.9 m-85 -105.18 157.48 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.541 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 98.8 m-70 -86.36 -10.66 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.552 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -136.77 120.22 16.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.307 -175.149 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -68.33 -27.94 66.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.253 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 59.9 ttt180 -64.46 -51.18 64.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.457 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.472 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.7 p-80 -90.76 -6.59 54.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.725 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.56 99.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.35 83.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.667 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 58' ' ' HIS . . . -57.22 -48.49 78.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.123 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -64.52 -38.6 91.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.801 HD21 HD12 ' A' ' 9' ' ' LEU . 1.8 tm? -51.47 -58.44 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.113 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.82 71.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.938 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.531 ' HE3' HD11 ' A' ' 26' ' ' LEU . 40.8 tpp -87.63 -26.78 22.87 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.424 -174.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.15 117.92 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.144 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 10.04 57.63 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.948 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 5.0 tpp180 -81.17 159.43 24.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 -179.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 44.2 tptt -108.26 85.48 2.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.609 HD12 HG12 ' A' ' 76' ' ' VAL . 66.7 mt -92.62 109.24 21.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.174 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.0 mmt 67.88 -74.73 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.031 0.832 . . . . 0.0 111.487 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.06 33.7 0.17 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.235 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.94 141.85 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -75.27 109.67 8.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.822 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.609 HG12 HD12 ' A' ' 71' ' ' ILE . 24.2 m -93.59 138.03 21.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.457 0.646 . . . . 0.0 111.16 -175.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.6 mttm -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.858 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.729 HG12 HD22 ' A' ' 63' ' ' LEU . 14.4 t -120.87 109.89 26.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.824 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.63 170.72 9.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.333 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -71.25 129.21 38.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.832 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.6 98.95 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.421 ' HB ' ' H ' ' A' ' 83' ' ' THR . 35.9 p -119.59 -149.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.995 -174.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.421 ' H ' ' HB ' ' A' ' 82' ' ' THR . 9.6 t -50.12 137.39 20.86 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.16 95.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.484 2.789 . . . . 0.0 113.049 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -91.06 80.08 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.635 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 m -62.04 -46.37 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -174.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -159.62 130.35 5.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -113.83 120.8 42.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.557 ' HZ1' ' HB3' ' A' ' 89' ' ' LYS . 7.6 mtpm? 60.61 44.12 11.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.041 174.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.82 144.87 55.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.5 m -90.7 83.32 5.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.133 0.492 . . . . 0.0 111.447 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.629 176.384 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.32 144.91 23.54 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.979 2.453 . . . . 0.0 113.617 -175.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -104.27 3.17 32.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.993 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -98.92 124.34 43.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.06 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.646 ' HB2' HG23 ' A' ' 51' ' ' VAL . 3.5 mm? -99.37 130.64 45.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.899 0.381 . . . . 0.0 110.365 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.9 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 57.0 t80 -99.05 92.92 5.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.573 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 21.2 t -98.44 115.83 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.239 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.12 -173.07 21.06 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.399 176.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 76' ' ' VAL . 4.8 m-20 72.8 30.8 1.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.783 0.433 . . . . 0.0 111.169 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -83.02 172.6 12.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.266 0.555 . . . . 0.0 111.569 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.946 ' HB2' ' HD2' ' A' ' 74' ' ' LYS . 24.8 t -141.95 152.38 43.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.192 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -16.16 63.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.035 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.46 -5.31 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.673 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 15' ' ' SER . 47.6 t -85.75 98.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 174.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.2 t -69.15 143.28 54.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.73 0.776 . . . . 0.0 111.459 -173.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.42 -28.52 70.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.46 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' H ' HG23 ' A' ' 19' ' ' THR . 61.1 tp -73.62 -48.26 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.511 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.09 -48.36 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.893 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 36' ' ' CYS . 2.7 mm? -58.98 -44.27 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.07 -41.8 88.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.801 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.56 -41.02 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.316 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 62.0 m-85 -77.38 -34.34 54.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.446 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -66.78 -17.32 64.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.281 0.562 . . . . 0.0 110.731 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -77.65 -14.54 59.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.412 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.5 mm -105.37 -52.42 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.32 169.83 30.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.596 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.76 108.31 2.05 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.675 2.25 . . . . 0.0 111.491 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -74.23 136.1 42.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -99.06 -44.84 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.719 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -147.75 154.46 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.709 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' HD21 ' A' ' 24' ' ' LEU . 5.7 p -154.81 118.99 4.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.131 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 12.4 mmmm -129.1 108.93 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.034 0.445 . . . . 0.0 111.546 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 ttt -87.45 108.59 19.08 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.2 0.524 . . . . 0.0 110.787 -174.473 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo . . . . . 0 N--CA 1.464 -0.241 0 CA-C-O 121.044 0.352 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.479 ' HA ' HD23 ' A' ' 14' ' ' LEU . 19.9 p90 -139.78 164.52 29.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -133.22 140.53 47.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.78 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -103.62 108.75 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.939 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 9' ' ' LEU . 12.3 m -113.43 122.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.11 0.481 . . . . 0.0 110.583 177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -108.4 137.01 47.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 65.0 m-85 -106.02 159.68 15.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 110.675 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -80.47 -11.25 59.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.03 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.593 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -139.99 110.23 6.57 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.838 -169.441 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -64.65 -34.31 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.392 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.593 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.6 ttt180 -69.11 -26.3 64.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.34 0.59 . . . . 0.0 110.545 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 55' ' ' GLU . 22.2 m80 -83.68 -35.02 24.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.426 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.58 -34.9 73.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.226 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.86 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.576 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.08 62.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.175 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.59 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.718 HD12 HG12 ' A' ' 78' ' ' VAL . 4.8 tp -54.87 -61.4 2.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.499 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.23 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.022 -174.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.25 -23.34 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.559 ' HB2' HG21 ' A' ' 78' ' ' VAL . 22.2 mmt -113.86 -24.46 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.0 t30 -66.01 124.76 23.42 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.125 -0.359 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.79 10.09 84.63 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.101 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 76' ' ' VAL . 19.0 ttt180 -80.51 135.13 36.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -89.45 118.51 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.141 0.496 . . . . 0.0 109.95 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 72' ' ' MET . 65.7 mt -126.47 125.51 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.067 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG2' HG22 ' A' ' 71' ' ' ILE . 26.5 mmt 66.71 -77.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 110.932 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.26 22.51 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.087 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.946 ' HD2' ' HB2' ' A' ' 15' ' ' SER . 59.6 mttm -139.37 155.27 47.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.764 0.316 . . . . 0.0 110.986 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.66 109.99 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.472 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . 17.0 m -79.02 163.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 111.475 -174.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 21.6 mmmt -136.12 116.99 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.166 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.718 HG12 HD12 ' A' ' 63' ' ' LEU . 43.9 t -102.04 111.75 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.952 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -113.84 166.78 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.79 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -84.07 116.11 22.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.341 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.9 ptt? . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.5 0.666 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 66.1 Cg_endo -76.9 -44.81 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.941 2.427 . . . . 0.0 114.792 -172.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 42.0 ttmt 79.72 -26.12 0.17 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 110.873 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -80.05 137.48 36.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.63 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.2 mm? -105.07 139.09 40.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.229 0.538 . . . . 0.0 110.849 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.753 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 84.4 t80 -104.9 100.7 10.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.512 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.682 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.5 t -100.15 113.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 179.01 19.94 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.35 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 67.74 47.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.478 0.711 . . . . 0.0 111.232 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 49' ' ' CYS . 48.6 mt -83.84 149.7 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.232 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -124.38 170.63 10.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -71.26 -12.42 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.432 0.634 . . . . 0.0 109.627 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -81.24 -14.43 57.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.055 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.425 HG11 HD22 ' A' ' 14' ' ' LEU . 58.3 t -93.02 122.65 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -100.74 144.44 29.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.858 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG3' HD23 ' A' ' 24' ' ' LEU . 5.3 tp10 -55.38 -40.72 71.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.905 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.74 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.1 tp -75.8 -50.36 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -57.0 -50.45 76.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.777 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD23 ' HG3' ' A' ' 20' ' ' GLU . 3.2 mm? -53.85 -49.11 69.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.899 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.32 -42.52 99.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.822 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 36.7 mt -59.24 -49.62 77.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.86 0.362 . . . . 0.0 111.381 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 83.9 m-85 -74.83 -30.51 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.598 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -63.85 -29.15 70.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 110.599 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -66.59 -32.95 74.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' HA ' ' A' ' 62' ' ' ALA . 38.2 mm -86.1 -52.95 11.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.9 169.45 28.0 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.585 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.08 112.35 3.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.031 2.488 . . . . 0.0 111.402 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 p -79.46 127.31 31.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.75 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 38.2 ttpt -82.16 -34.51 29.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.935 -177.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -171.86 147.75 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.414 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.1 m -136.93 132.12 33.99 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.718 ' HE3' HD11 ' A' ' 39' ' ' ILE . 37.5 ttpt -131.1 145.96 52.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -109.98 126.02 53.49 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.695 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.718 HD11 ' HE3' ' A' ' 37' ' ' LYS . 23.7 mm . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 120.893 0.378 . . . . 0.0 110.156 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.494 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 4.5 Cg_exo . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.785 0.244 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.04 161.56 38.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.13 0.49 . . . . 0.0 111.472 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.573 ' HB2' HD11 ' A' ' 14' ' ' LEU . 40.7 t -124.61 138.76 54.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.418 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -103.62 111.93 24.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.155 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 9' ' ' LEU . 13.4 m -110.08 117.92 55.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.533 0.683 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.541 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 3.7 mm-40 -96.9 137.97 35.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.16 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 64.1 m-85 -114.79 167.54 10.68 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -86.01 -37.62 18.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.69 136.0 45.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.673 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 17.3 t60 -76.7 -30.56 56.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.666 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.06 -40.62 82.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 111.654 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -72.6 -18.46 61.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.116 0.484 . . . . 0.0 110.186 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.02 -34.56 78.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.23 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.22 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.9 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.59 84.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.505 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HA ' HG13 ' A' ' 30' ' ' ILE . . . -66.3 -37.98 86.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.394 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.817 HD12 HG12 ' A' ' 78' ' ' VAL . 5.5 tp -54.28 -61.4 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.474 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 -22.54 65.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.813 -172.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.32 -15.39 29.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.521 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.44 -35.47 5.26 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.342 -173.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.683 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 36.5 p30 -70.68 146.95 49.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 111.665 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.47 9.64 84.55 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.263 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' O ' HG22 ' A' ' 76' ' ' VAL . 33.5 ttt180 -94.85 132.28 39.83 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -91.64 118.12 30.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.042 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.699 HG22 ' HG2' ' A' ' 72' ' ' MET . 68.4 mt -126.83 125.98 67.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.699 ' HG2' HG22 ' A' ' 71' ' ' ILE . 24.5 mmt 72.99 -50.45 0.71 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 111.288 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.01 26.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -142.22 139.94 32.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 110.25 18.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 69' ' ' ARG . 19.2 m -76.0 160.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.309 0.576 . . . . 0.0 111.931 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 mmtt -127.79 132.82 49.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.206 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.817 HG12 HD12 ' A' ' 63' ' ' LEU . 20.8 t -129.22 104.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -118.38 177.2 4.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.499 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -89.96 115.43 27.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.824 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.753 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.96 -53.94 6.13 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.265 2.643 . . . . 0.0 113.07 -173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 73.66 -45.91 0.62 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.778 0.674 . . . . 0.0 111.297 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.504 HG23 ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -85.96 131.04 34.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 178.307 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.625 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -97.65 129.85 44.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 0.0 110.635 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 51.4 t80 -99.22 104.01 15.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.542 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 14.3 t -119.09 119.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.8 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.47 122.56 6.13 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.432 -0.889 . . . . 0.0 111.563 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 3.6 p-10 175.71 5.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 81.9 mt -66.11 142.47 57.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 0.0 111.383 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.497 ' OG ' HG23 ' A' ' 18' ' ' VAL . 90.1 p -129.25 -179.18 4.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.164 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 3.2 ppt_? -71.95 -12.85 61.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 110.668 175.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -91.2 -37.72 13.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG23 ' OG ' ' A' ' 15' ' ' SER . 93.7 t -61.19 138.65 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -121.11 154.43 36.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.47 -44.44 80.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.971 0.415 . . . . 0.0 110.685 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.12 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.977 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.3 tp -82.83 -52.86 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 0.0 110.114 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -53.59 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.12 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.8 -32.29 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.318 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.95 -45.32 67.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 38.0 mt -63.29 -37.46 87.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.985 -178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 65.9 m-85 -81.64 -29.3 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.218 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 t -65.63 -23.45 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 0.0 110.057 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.21 -31.66 71.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.064 174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.17 -52.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.3 158.99 27.9 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.117 -1.04 . . . . 0.0 113.152 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.6 129.51 16.83 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.851 2.367 . . . . 0.0 111.744 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.73 133.52 34.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.431 ' HD3' ' HE2' ' A' ' 54' ' ' HIS . 26.8 tptp -88.87 -44.11 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.634 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -163.09 146.0 10.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.941 176.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.9 m -135.6 138.4 42.9 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.091 0.472 . . . . 0.0 110.549 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -124.11 147.8 47.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.125 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -132.47 107.89 8.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.527 0.68 . . . . 0.0 109.908 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.805 -176.444 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.755 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 33.1 Cg_exo . . . . . 0 C--O 1.237 0.447 0 CA-C-O 121.206 0.419 . . . . 0.0 112.239 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -127.96 155.16 44.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.544 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -119.97 140.75 50.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.792 -175.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.428 ' CE1' ' HD2' ' A' ' 10' ' ' TYR . 73.9 m-85 -107.64 106.33 16.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.109 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.623 HG23 ' HB2' ' A' ' 9' ' ' LEU . 12.4 m -106.91 121.45 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.902 0.382 . . . . 0.0 110.37 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HB2' HG23 ' A' ' 8' ' ' THR . 31.3 tt0 -119.66 122.94 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.126 0.489 . . . . 0.0 110.331 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 61.3 m-85 -94.69 171.8 8.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.056 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.431 ' HE2' ' HD3' ' A' ' 34' ' ' LYS . 39.4 m80 -74.57 -32.53 62.43 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.654 0.74 . . . . 0.0 109.537 173.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' OE1' ' HB3' ' A' ' 57' ' ' ARG . 1.8 tm-20 -118.1 120.24 37.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.911 -166.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -69.85 -33.77 72.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.368 -173.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.449 ' HB3' ' OE1' ' A' ' 55' ' ' GLU . 14.4 ttm180 -70.39 -23.65 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.282 0.563 . . . . 0.0 110.601 -175.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -81.82 -31.04 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.374 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.625 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.41 -32.11 72.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.54 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.495 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -62.18 -50.05 73.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.744 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.03 87.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.16 85.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HA ' HG11 ' A' ' 78' ' ' VAL . 8.1 tt -65.39 -49.81 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.6 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.061 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.36 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 91.4 mmm -86.71 -26.65 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -65.01 123.47 19.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.149 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.01 66.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.666 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' ' 76' ' ' VAL . 14.1 ttt180 -83.2 148.61 27.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.854 0.359 . . . . 0.0 110.175 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -101.56 118.51 37.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.64 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.1 mt -136.02 126.16 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.161 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.4 mmm 62.49 25.72 15.32 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.756 0.422 . . . . 0.0 111.423 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.8 1.17 77.33 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.966 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -100.89 136.08 41.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.671 0.388 . . . . 0.0 110.18 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.88 112.6 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.222 0.534 . . . . 0.0 110.207 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 4.0 m -83.12 145.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.193 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.1 mttp -129.21 124.1 33.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.718 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 11' ' ' VAL . 20.7 t -112.44 113.7 44.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.819 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -120.41 158.33 27.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.681 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.495 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.8 m95 -74.59 117.49 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.957 0.408 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.706 ' HB2' ' HE3' ' A' ' 80' ' ' TRP . 99.8 Cg_exo -42.07 -48.7 6.2 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 114.439 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.9 tttt 74.68 -46.58 0.61 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.779 0.674 . . . . 0.0 111.776 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -88.7 139.71 30.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.867 HD12 HD23 ' A' ' 63' ' ' LEU . 2.7 mm? -100.71 133.38 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.886 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 59.3 t80 -96.18 113.81 25.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.826 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.793 HG22 HG22 ' A' ' 78' ' ' VAL . 86.1 t -106.22 121.19 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.905 0.383 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.18 167.48 12.95 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.924 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 95.1 m-20 71.53 59.77 0.16 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.984 0.461 . . . . 0.0 111.125 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 23.0 mt -84.45 142.82 29.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.444 0.64 . . . . 0.0 110.089 172.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -118.88 161.05 20.82 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.905 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -59.39 -30.68 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 110.15 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.92 14.26 2.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.609 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.01 108.75 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.132 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 22' ' ' LEU . 3.7 t -84.06 144.18 29.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.158 173.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.19 -32.63 73.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.454 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.46 97.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.502 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 26' ' ' LEU . 55.2 tp -68.48 -51.06 47.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.645 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -57.25 -48.58 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.182 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.4 mm? -66.11 -28.8 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.538 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.57 -45.98 77.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 109.847 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -54.72 -41.61 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 64.7 m-85 -80.95 -37.05 30.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.482 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.95 -27.4 69.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.345 . . . . 0.0 110.859 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.73 -22.03 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.364 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.43 -50.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 58' ' ' HIS . . . -154.03 165.4 31.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.57 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.12 118.94 5.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.043 2.495 . . . . 0.0 112.006 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.15 142.94 32.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.364 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 52' ' ' GLU . 38.2 tttm -91.59 -52.75 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.502 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -165.36 151.4 9.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.286 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.4 p -127.34 124.71 39.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -106.95 130.61 54.58 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.0 mmm -110.13 99.2 8.31 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.026 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp . . . . . 0 C--N 1.319 -0.728 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.612 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 47.2 Cg_exo . . . . . 0 C--O 1.235 0.349 0 N-CA-C 113.12 0.392 . . . . 0.0 113.12 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -144.69 179.9 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.785 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.603 ' HB2' HD11 ' A' ' 14' ' ' LEU . 50.6 t -145.18 148.69 33.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.407 ' HD2' HD11 ' A' ' 39' ' ' ILE . 58.4 m-85 -120.48 114.6 22.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.181 176.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 127.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.064 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 34' ' ' LYS . 43.4 mt-10 -106.21 139.8 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 27.8 m-85 -108.92 155.47 20.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.907 174.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -84.65 -7.29 59.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.357 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -136.68 122.39 19.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.186 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -62.9 -33.61 75.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.438 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -66.49 -36.46 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' HB3' ' HA3' ' A' ' 31' ' ' GLY . 11.3 m170 -79.45 -27.93 41.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.3 -37.94 89.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.103 174.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . . . -64.84 -41.96 95.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.343 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.03 84.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.24 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.867 HD23 HD12 ' A' ' 9' ' ' LEU . 2.6 tm? -52.13 -56.81 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.845 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -23.45 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -173.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.15 -29.0 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.432 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -93.09 -40.03 10.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.622 0.249 . . . . 0.0 110.45 -175.332 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.481 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.4 t30 -63.36 125.83 25.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 -176.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.99 4.38 75.08 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.887 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 76' ' ' VAL . 52.2 ttt180 -91.23 141.23 29.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.835 0.35 . . . . 0.0 110.222 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.49 120.41 25.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 111.261 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -137.37 109.45 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.272 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 mmt 68.7 48.1 0.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.964 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.11 99.73 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.058 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -157.8 156.27 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.064 0.432 . . . . 0.0 110.095 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.9 113.63 25.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 69' ' ' ARG . 17.2 m -77.92 161.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.716 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttm -128.73 120.79 27.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.793 HG22 HG22 ' A' ' 11' ' ' VAL . 41.4 t -129.99 108.49 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.727 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.634 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 33.1 p30 -126.94 173.43 9.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.605 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.706 ' HE3' ' HB2' ' A' ' 6' ' ' PRO . 89.1 m95 -79.31 110.35 14.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.082 0.468 . . . . 0.0 110.655 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.886 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.858 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' A' ' 80' ' ' TRP . 83.0 Cg_exo -46.68 -41.73 24.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.855 3.036 . . . . 0.0 113.902 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 75.54 -47.25 0.59 Allowed 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.713 0.633 . . . . 0.0 111.975 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -90.77 140.88 29.37 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.632 HD12 HD23 ' A' ' 63' ' ' LEU . 2.9 mm? -98.29 131.6 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.825 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 70.1 t80 -99.92 101.24 12.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.505 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.722 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 98.3 t -105.55 112.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -113.44 -175.98 19.28 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.644 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.37 43.21 2.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 110.915 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 57.9 mt -72.96 147.25 45.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.273 0.558 . . . . 0.0 110.366 175.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.749 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.7 t -110.23 155.75 21.59 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.04 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 10.3 mpt_? -71.95 -9.5 58.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.639 -177.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.05 -4.86 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.913 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.749 HG23 ' HB3' ' A' ' 15' ' ' SER . 80.0 t -84.7 125.24 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.8 t -100.13 147.59 25.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.904 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HG2' HD23 ' A' ' 24' ' ' LEU . 29.4 tt0 -62.46 -40.77 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.29 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.899 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' H ' HG23 ' A' ' 19' ' ' THR . 52.5 tp -67.98 -48.99 64.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.733 -176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.73 -51.16 73.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.254 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -64.64 -33.97 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.473 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.65 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.68 -36.2 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 52.3 m-85 -76.59 -37.66 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.79 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t -62.72 -25.72 68.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -66.18 -26.94 67.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.751 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.9 mm -94.08 -48.92 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -154.56 179.51 30.63 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.377 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -87.0 124.85 2.19 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.964 2.443 . . . . 0.0 112.159 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.34 123.18 47.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 pttp -77.92 -27.32 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.016 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 34' ' ' LYS . 3.8 p-10 -169.71 155.11 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.035 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HB3' HD11 ' A' ' 24' ' ' LEU . 30.3 p -128.57 149.67 50.52 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -128.27 106.94 9.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.219 0.533 . . . . 0.0 109.889 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.5 ttp -103.73 108.18 19.37 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.877 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.434 HG13 ' CE2' ' A' ' 48' ' ' TYR . 32.4 mm . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.272 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.657 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.1 Cg_exo . . . . . 0 N--CA 1.462 -0.378 0 CA-C-O 120.864 0.277 . . . . 0.0 112.145 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 18.6 p90 -139.16 161.01 38.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.028 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB2' HD11 ' A' ' 14' ' ' LEU . 49.5 t -135.73 135.22 39.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.44 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -98.59 121.13 40.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.339 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 9' ' ' LEU . 12.6 m -113.49 120.7 64.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 175.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -107.27 114.7 28.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 62.5 m-85 -92.26 -172.06 3.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.538 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 71.8 m80 -106.82 -45.03 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.005 0.431 . . . . 0.0 110.196 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -100.68 120.75 40.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.219 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.31 -29.83 64.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.715 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.63 -22.03 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -80.63 -33.82 35.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.28 90.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.341 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.008 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.84 -38.48 79.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.899 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -36.86 76.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.801 HD22 HG12 ' A' ' 78' ' ' VAL . 2.1 tm? -53.94 -60.43 3.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.469 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.86 62.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.4 -35.63 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.704 0.288 . . . . 0.0 111.626 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 11.9 tpt -92.03 -29.15 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.532 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.7 t30 -67.25 123.7 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.7 10.3 67.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -93.96 128.27 40.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 1.9 ttmp? -94.5 107.11 19.09 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.664 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.412 HG22 ' HG2' ' A' ' 72' ' ' MET . 2.6 mp -100.94 123.04 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.581 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.412 ' HG2' HG22 ' A' ' 71' ' ' ILE . 96.9 mmm 69.46 -64.35 0.34 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.027 0.829 . . . . 0.0 112.021 177.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.64 53.08 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HZ2' ' HB2' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -157.57 142.16 16.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.04 110.0 15.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.29 168.55 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.149 0.5 . . . . 0.0 111.606 -175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.722 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 52.6 mtmt -131.01 124.93 31.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.456 174.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.801 HG12 HD22 ' A' ' 63' ' ' LEU . 50.3 t -129.05 104.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.001 0.429 . . . . 0.0 109.846 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -125.88 173.73 8.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.4 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.534 ' HB3' ' HG2' ' A' ' 6' ' ' PRO . 86.3 m95 -82.9 120.1 25.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.633 0.254 . . . . 0.0 110.854 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.917 0.389 . . . . 0.0 109.999 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.455 0.169 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -58.39 103.11 0.15 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.375 2.05 . . . . 0.0 111.46 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -88.38 -3.56 58.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.109 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.8 m -107.64 137.3 45.9 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.27 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.6 mm? -104.54 131.95 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.841 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.1 t80 -93.24 100.31 12.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.871 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 78' ' ' VAL . 50.2 t -102.46 114.63 42.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.834 0.349 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -103.2 175.43 23.84 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.472 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 6.1 m-20 72.73 59.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.165 0.507 . . . . 0.0 111.289 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 49' ' ' CYS . 61.3 mt -86.66 178.72 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.321 0.581 . . . . 0.0 110.973 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.837 ' HB3' HG23 ' A' ' 18' ' ' VAL . 30.7 t -149.3 160.03 43.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.95 -9.82 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.174 0.511 . . . . 0.0 109.724 175.514 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -98.56 2.21 47.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.663 0.744 . . . . 0.0 109.898 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.837 HG23 ' HB3' ' A' ' 15' ' ' SER . 82.1 t -104.15 110.95 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.393 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -91.28 147.24 23.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 33.5 tt0 -59.83 -35.83 75.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.366 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.06 73.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.047 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.1 tp -74.9 -53.28 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -53.79 -52.78 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -63.51 -41.0 98.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.426 -177.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -64.1 -40.49 96.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.624 0.25 . . . . 0.0 110.675 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 39.3 mt -60.83 -45.0 96.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.62 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 54.3 m-85 -71.31 -30.48 66.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -64.33 -29.96 71.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.545 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 -26.57 65.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.91 -53.39 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.423 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.93 157.33 27.22 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.427 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.62 116.05 3.08 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.566 2.177 . . . . 0.0 111.709 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.2 m -84.35 145.02 28.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -112.83 -39.66 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.662 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . 59.9 t30 -146.29 151.64 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.613 0.244 . . . . 0.0 110.421 -176.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.574 ' HB3' HD11 ' A' ' 24' ' ' LEU . 23.8 p -141.46 130.43 23.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -141.28 112.91 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.514 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 15.1 ptp -85.72 142.59 28.89 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 171.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.341 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo . . . . . 0 N--CA 1.473 0.293 0 N-CA-C 113.854 0.675 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -132.25 165.84 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.705 ' HB2' HD11 ' A' ' 14' ' ' LEU . 47.7 t -136.71 146.15 45.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.913 0.387 . . . . 0.0 110.993 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.82 116.14 31.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.239 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.4 m -114.39 121.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.429 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.0 tt0 -105.23 133.01 50.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.717 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 10.5 m-85 -102.46 157.63 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -80.21 -31.83 38.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 170.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 2.3 tm-20 -115.47 111.47 20.81 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.359 -170.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -71.31 -34.25 70.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.757 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 12.2 tpt180 -64.12 -34.38 77.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.468 . . . . 0.0 110.502 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -77.14 -28.02 54.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.346 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.709 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -63.58 -29.53 70.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.381 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.67 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.772 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.44 96.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.96 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.596 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -55.59 -54.47 43.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.339 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.95 75.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.1 -40.29 31.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -86.69 -20.25 28.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.02 115.98 8.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.427 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 10.13 58.65 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.529 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -72.88 155.39 39.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -105.88 101.16 10.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.507 HD12 HG11 ' A' ' 76' ' ' VAL . 73.1 mt -118.86 116.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.2 mmt 59.62 34.82 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.816 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.19 84.81 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.819 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -123.48 137.96 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.02 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.133 0.492 . . . . 0.0 110.516 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.507 HG11 HD12 ' A' ' 71' ' ' ILE . 17.4 m -78.99 151.04 5.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.74 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -131.05 121.62 25.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.545 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 11' ' ' VAL . 21.3 t -112.91 129.27 68.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.577 -174.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -134.36 163.08 30.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.505 ' CE2' ' HG ' ' A' ' 63' ' ' LEU . 94.3 m95 -72.67 108.5 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.277 . . . . 0.0 110.848 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 0.0 110.316 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.3 mtp . . . . . 0 CA--C 1.527 0.075 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.785 ' HG3' ' HB3' ' A' ' 80' ' ' TRP . 29.0 Cg_endo -63.11 -47.25 8.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 113.616 -175.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 48.7 mtpt 73.17 -44.29 0.59 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.392 0.677 . . . . 0.0 111.826 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 m -80.15 125.89 30.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.596 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.662 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.4 mm? -92.33 132.53 36.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.976 0.417 . . . . 0.0 110.191 176.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.635 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 33.2 t80 -99.48 109.31 21.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.716 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 46.2 t -111.02 122.07 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.76 178.42 16.94 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.714 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 70.92 30.15 2.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.171 0.589 . . . . 0.0 111.545 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.6 mm? -70.55 167.8 17.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.688 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' A' ' 74' ' ' LYS . 49.9 m -147.48 150.65 34.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -6.92 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.6 -24.06 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.209 172.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.71 125.44 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.182 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 t -84.82 143.57 29.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.548 0.689 . . . . 0.0 110.553 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.08 -24.87 65.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.348 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.62 94.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.211 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 59.4 tp -69.79 -50.74 40.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.45 -52.65 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.042 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 28' ' ' SER . 4.3 mm? -61.09 -41.67 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.75 -45.44 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.161 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 32.9 mt -57.58 -37.71 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.821 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' HZ ' HG21 ' A' ' 11' ' ' VAL . 36.8 m-85 -85.61 -27.52 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.949 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.5 t -67.3 -33.79 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -177.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -70.73 -19.3 62.75 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.133 0.492 . . . . 0.0 110.652 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.6 mm -89.26 -45.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.711 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 58' ' ' HIS . . . -168.79 163.98 37.66 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.787 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.83 113.82 2.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.45 2.1 . . . . 0.0 112.035 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.32 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.141 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.659 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 20.8 tptp -88.16 -32.14 18.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.77 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 95.9 m-20 -127.49 137.89 52.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.876 0.369 . . . . 0.0 110.689 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' HB3' HD11 ' A' ' 24' ' ' LEU . 4.2 p -125.33 105.02 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.98 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.725 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.3 mmtp -102.9 107.15 17.88 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.232 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 ttp -107.57 99.29 8.8 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mm . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.231 -174.545 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.233 0.257 0 CA-C-O 120.886 0.286 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.541 ' HA ' HD23 ' A' ' 14' ' ' LEU . 15.8 p90 -139.63 161.63 37.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 49.9 t -128.9 136.6 50.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.059 0.457 . . . . 0.0 111.512 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.725 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.1 m-85 -107.73 122.5 46.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.049 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.4 122.83 70.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.898 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -87.44 115.11 24.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 177.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.509 ' CE2' HD23 ' A' ' 9' ' ' LEU . 21.5 m-85 -98.48 130.77 45.08 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.659 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 55.0 m80 -60.76 -31.6 70.93 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.328 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.81 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.541 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -77.73 -27.65 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.818 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -47.35 80.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.71 0.29 . . . . 0.0 111.465 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.58 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 3.3 p-80 -76.9 -9.7 58.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.112 0.482 . . . . 0.0 110.403 -176.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.662 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.16 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.353 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.67 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.549 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.67 84.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.877 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.69 -36.46 62.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.606 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.617 HD12 HG12 ' A' ' 78' ' ' VAL . 7.6 tp -56.19 -57.7 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.058 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.08 -15.2 62.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.155 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.3 6.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.756 0.312 . . . . 0.0 111.481 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -88.49 -23.58 23.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' HA ' HG23 ' A' ' 78' ' ' VAL . 55.6 t30 -62.16 120.96 11.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.75 10.89 75.23 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.013 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 76' ' ' VAL . 65.0 ttt180 -88.22 140.61 29.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.051 0.453 . . . . 0.0 110.599 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.0 110.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.502 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.55 HG22 ' HG2' ' A' ' 72' ' ' MET . 65.6 mt -120.71 123.92 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.672 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.55 ' HG2' HG22 ' A' ' 71' ' ' ILE . 23.6 mmt 68.41 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.255 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.05 20.13 0.75 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HG3' ' OG ' ' A' ' 15' ' ' SER . 4.5 mmmp? -141.4 158.31 44.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.262 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -94.19 120.2 34.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.333 173.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 71' ' ' ILE . 23.0 m -85.62 152.63 3.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.023 0.439 . . . . 0.0 110.53 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.3 mttm -130.27 128.53 41.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.964 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.617 HG12 HD12 ' A' ' 63' ' ' LEU . 10.3 t -117.33 123.31 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.43 -177.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -132.02 165.26 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.507 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.785 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 42.8 m0 -80.56 112.61 18.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.424 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.514 0.674 . . . . 0.0 109.694 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 46.3 Cg_endo -71.92 90.6 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.065 1.843 . . . . 0.0 111.122 169.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -89.21 -7.65 55.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.635 0.731 . . . . 0.0 109.864 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -121.95 134.24 54.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.531 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 63' ' ' LEU . 3.0 mm? -100.14 139.79 35.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.86 0.362 . . . . 0.0 110.492 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.697 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 33.1 t80 -103.44 105.64 15.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.793 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.74 HG22 HG22 ' A' ' 78' ' ' VAL . 60.7 t -105.18 112.74 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.96 170.61 20.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.426 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 73.03 40.53 0.55 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.402 0.681 . . . . 0.0 111.645 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 49' ' ' CYS . 57.9 mt -79.62 145.65 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.14 0.495 . . . . 0.0 109.921 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' VAL . 48.2 t -94.7 167.7 11.29 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.443 176.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.667 ' NH1' ' HA ' ' A' ' 16' ' ' ARG . 7.2 mmm180 -80.5 -6.74 58.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.517 0.675 . . . . 0.0 109.339 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.76 -1.26 46.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.425 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 15' ' ' SER . 88.3 t -85.33 126.74 40.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -98.15 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.934 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.56 -41.32 84.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.056 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.95 69.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.875 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.7 tt -69.68 -49.87 49.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.921 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.43 HD11 HG11 ' A' ' 18' ' ' VAL . 51.4 mm -54.27 -58.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.737 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 36' ' ' CYS . 6.6 tp -56.89 -42.34 79.68 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.626 -174.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.27 -42.49 96.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.142 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 22.2 mt -60.82 -38.41 85.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.576 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 80.6 m-85 -82.87 -32.98 27.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.2 m -65.28 -22.4 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -60.62 -34.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.178 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.2 mm -92.87 -53.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.911 -176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.29 160.39 28.17 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.943 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.2 112.34 2.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.944 2.43 . . . . 0.0 111.74 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 m -95.32 140.18 30.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.308 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 52.9 tptt -108.06 -43.68 4.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.368 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -129.03 140.68 51.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.907 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 24' ' ' LEU . 49.2 t -128.26 104.57 7.81 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.239 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 27.1 tttp -93.86 141.39 28.56 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.809 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 84.5 mtp -124.3 104.11 8.61 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.757 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.444 HD11 ' HD3' ' A' ' 37' ' ' LYS . 38.2 mm . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.277 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo . . . . . 0 C--O 1.234 0.321 0 N-CA-C 114.206 0.81 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 11.3 p90 -130.9 151.49 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.391 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.644 ' HB2' HD11 ' A' ' 14' ' ' LEU . 46.1 t -117.48 143.27 46.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.391 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.592 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 76.5 m-85 -111.17 109.74 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.742 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 m -104.91 125.93 59.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -106.3 123.13 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 15.9 m-85 -96.61 165.36 12.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 34' ' ' LYS . 93.2 m-70 -89.02 -7.78 55.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.214 171.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -143.19 112.31 6.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.649 -169.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.24 -33.4 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.766 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 76.8 mtt180 -70.15 -31.98 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 0.0 110.298 -176.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.85 -34.73 39.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.842 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.81 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.38 -40.37 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.597 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.81 90.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.04 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.34 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.601 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.658 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.825 HD23 HD12 ' A' ' 9' ' ' LEU . 3.2 tm? -54.01 -58.52 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.214 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.7 59.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.98 -35.12 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 26' ' ' LEU . 31.4 tpp -97.08 -24.06 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.59 111.16 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.425 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.99 6.21 30.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.389 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -76.81 157.32 31.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 82.6 tttt -117.48 118.22 31.58 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.912 0.386 . . . . 0.0 110.164 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.466 HG22 ' HG2' ' A' ' 72' ' ' MET . 72.1 mt -126.84 118.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.636 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.466 ' HG2' HG22 ' A' ' 71' ' ' ILE . 22.2 mmt 61.21 35.31 18.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.253 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.02 -18.58 57.17 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.375 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 15' ' ' SER . 29.8 mtpp -110.19 135.14 51.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.019 0.409 . . . . 0.0 111.314 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 54.3 mt-10 -84.88 119.43 25.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.004 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 HD12 ' A' ' 71' ' ' ILE . 19.0 m -76.73 155.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.233 -175.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -130.78 111.29 12.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.74 HG22 HG22 ' A' ' 11' ' ' VAL . 11.7 t -106.32 116.63 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.149 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -125.31 168.31 13.7 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.294 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 6' ' ' PRO . 5.1 m0 -68.31 123.29 20.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 8' ' ' THR . 9.7 Cg_endo -55.87 -55.5 2.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.502 2.135 . . . . 0.0 112.901 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 71.25 -14.94 0.44 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.135 0.574 . . . . 0.0 111.493 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.3 m -109.34 134.01 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.014 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -103.29 134.57 46.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.069 0.462 . . . . 0.0 110.338 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.908 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.6 t80 -95.61 109.42 21.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.693 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.7 t -106.84 124.99 62.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.761 176.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.34 178.7 16.39 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.103 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.96 34.76 6.89 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.981 0.512 . . . . 0.0 111.027 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -68.1 148.26 51.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.798 ' HB2' HG23 ' A' ' 18' ' ' VAL . 6.2 m -114.18 155.0 26.87 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.537 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.0 mpt_? -75.85 -16.14 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -93.37 4.66 53.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.481 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.798 HG23 ' HB2' ' A' ' 15' ' ' SER . 74.7 t -89.59 129.26 40.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 174.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.573 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.1 t -96.65 148.06 23.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.772 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG2' HD23 ' A' ' 24' ' ' LEU . 31.1 tt0 -58.38 -36.93 74.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.167 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.63 69.79 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 62.2 tp -71.73 -55.53 7.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.46 -47.51 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.909 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 20' ' ' GLU . 3.4 mm? -56.92 -45.81 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.26 -41.25 85.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.138 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 33.9 mt -58.16 -43.77 87.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 75.8 m-85 -82.92 -28.91 29.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.4 t -61.24 -31.18 70.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.111 0.481 . . . . 0.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.37 -28.0 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.613 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.46 -50.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.54 153.24 24.67 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.034 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.73 ' HD2' ' HG3' ' A' ' 55' ' ' GLU . 66.9 Cg_exo -53.37 113.82 1.47 Allowed 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.031 2.487 . . . . 0.0 112.223 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.94 136.05 37.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.775 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -88.87 -49.29 6.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.557 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -164.99 150.36 9.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' A' ' 51' ' ' VAL . 61.7 m -131.17 111.38 11.9 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 13.4 mmmm -97.67 107.0 19.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.371 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -90.05 100.08 12.97 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.8 mm . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.258 -177.656 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 CA-C-O 120.839 0.266 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.0 p90 -137.19 152.11 49.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.006 0.431 . . . . 0.0 111.084 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 46.7 t -125.02 139.21 54.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.013 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.3 m-85 -108.14 106.67 16.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.984 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 9' ' ' LEU . 22.4 m -104.37 124.13 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.164 0.507 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.28 143.45 32.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.358 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 44.6 m-85 -116.73 155.12 29.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -87.48 -8.13 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.73 ' HG3' ' HD2' ' A' ' 32' ' ' PRO . 36.6 mm-40 -118.08 93.53 4.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.673 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -65.35 -29.31 70.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -68.37 -37.4 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.507 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 55' ' ' GLU . 17.3 m80 -84.36 -26.08 28.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -56.53 -38.24 71.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.61 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.31 85.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.945 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 9.2 tt -61.59 -41.58 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.65 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.8 -30.8 17.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -96.72 -25.51 15.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -172.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.563 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.5 t30 -74.4 138.85 43.63 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.472 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.18 85.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.539 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -98.13 159.6 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -176.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 28.2 ttpt -97.38 102.24 13.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.55 HD12 HG11 ' A' ' 76' ' ' VAL . 65.5 mt -101.5 120.5 51.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm 68.25 -71.42 0.11 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.956 0.785 . . . . 0.0 110.713 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.5 34.83 0.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' OG ' ' A' ' 15' ' ' SER . 2.1 tppt? -135.79 149.77 49.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -175.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.71 108.63 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.55 HG11 HD12 ' A' ' 71' ' ' ILE . 17.3 m -88.85 168.65 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.491 0.663 . . . . 0.0 112.351 -168.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.707 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 42.9 mmtm -133.58 122.39 23.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.068 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 45.1 t -126.36 98.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -119.03 165.26 14.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.919 -175.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -86.72 112.26 21.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.908 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.984 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 C--O 1.233 0.223 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -63.93 -58.99 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.208 1.939 . . . . 0.0 111.483 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 32.9 mtmm 73.82 -9.18 1.26 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.16 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -92.89 120.05 32.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.471 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.449 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.4 mm? -95.37 128.32 42.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 42.0 t80 -95.2 117.33 30.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.419 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 78' ' ' VAL . 48.6 t -115.42 121.21 66.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.335 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -106.66 168.99 14.86 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.977 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 93.2 m-20 75.87 49.86 0.07 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.316 0.647 . . . . 0.0 112.088 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 49' ' ' CYS . 62.6 mt -88.84 177.59 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -148.59 167.31 25.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.608 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 4.6 mpt_? -68.92 -23.9 64.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.5 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.31 -28.94 67.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.245 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.91 123.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.618 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.2 t -92.34 146.28 23.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.09 -35.11 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.367 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.89 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.963 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 67.7 tp -68.49 -53.53 22.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.278 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.7 -53.87 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -63.49 -37.64 88.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.285 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -63.29 -44.4 95.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 110.892 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 29.3 mt -62.98 -43.93 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 66' ' ' MET . 37.6 m-85 -68.96 -35.7 77.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.298 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -61.58 -30.11 70.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -69.28 -27.92 65.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.412 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.4 mm -90.59 -53.16 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.22 160.86 28.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.584 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 37.1 Cg_endo -66.25 116.16 3.88 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.631 2.221 . . . . 0.0 112.136 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.26 125.05 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.018 0.437 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -87.12 -40.37 14.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.267 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -159.89 153.19 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.8 p -126.28 147.08 49.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.153 0.502 . . . . 0.0 111.368 -176.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.82 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 42.7 mmtm -123.58 110.03 14.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.384 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.1 ttm -95.53 99.32 11.22 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.0 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 0.0 110.482 -177.155 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo . . . . . 0 C--O 1.234 0.28 0 N-CA-C 114.41 0.888 . . . . 0.0 114.41 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -132.06 166.29 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.718 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.84 ' HB2' HD11 ' A' ' 14' ' ' LEU . 49.6 t -135.85 141.74 44.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.115 0.483 . . . . 0.0 111.126 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.82 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 95.8 m-85 -109.99 139.15 45.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.32 112.87 8.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.492 0.663 . . . . 0.0 110.715 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.99 117.92 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.682 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.93 157.97 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.03 0.443 . . . . 0.0 111.059 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 68.6 m80 -81.6 -14.43 56.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.745 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.532 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -141.89 124.33 15.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.839 -165.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.407 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 73.0 t60 -78.43 -34.81 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.994 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.532 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 42.1 ttm180 -67.64 -32.87 73.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.018 0.437 . . . . 0.0 110.582 -175.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -77.83 -31.09 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.342 0.592 . . . . 0.0 109.758 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.62 -23.08 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.629 177.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.03 -42.6 80.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.448 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.42 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.243 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -34.65 76.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.46 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -62.11 -43.95 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.19 27.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.208 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.19 -33.36 19.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 13.9 tpt -87.83 -40.12 14.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 -176.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.559 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 51.8 t30 -74.65 110.33 8.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.68 -7.33 13.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.368 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -71.61 165.93 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -121.1 119.84 33.59 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.881 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.95 118.88 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.22 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.9 mmm 56.15 32.82 20.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.129 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.26 20.96 69.83 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.892 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -122.2 148.34 45.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.341 0.57 . . . . 0.0 110.407 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.59 109.22 7.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 76' ' ' VAL . 30.3 m -74.12 108.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.902 0.858 . . . . 0.0 109.884 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 16.0 mmtm -102.6 109.12 20.63 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 11' ' ' VAL . 26.1 t -115.85 117.03 54.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.646 -174.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.496 ' HA ' HD21 ' A' ' 63' ' ' LEU . 10.2 p30 -128.88 158.33 39.06 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -85.62 103.27 14.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.331 0.586 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.691 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.4 mtp . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.76 -45.94 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.505 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mttp 70.61 -54.89 0.64 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.895 0.878 . . . . 0.0 112.468 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 m -82.88 139.53 33.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 0.0 111.605 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.6 mm? -93.84 138.83 31.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 51.7 t80 -104.81 105.59 15.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.59 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.752 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 66.1 t -111.43 112.82 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.828 0.347 . . . . 0.0 110.73 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.58 -170.01 18.75 Favored Glycine 0 C--O 1.237 0.33 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.788 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 43.24 9.01 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.027 0.531 . . . . 0.0 111.205 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 30.6 mt -69.97 157.4 37.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.457 . . . . 0.0 111.28 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.0 m -131.57 158.85 39.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.26 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -41.47 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.614 0.245 . . . . 0.0 111.546 -175.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -78.48 -0.79 30.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.369 . . . . 0.0 111.191 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 15' ' ' SER . 86.8 t -88.12 109.03 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 22' ' ' LEU . 12.0 t -88.34 144.63 26.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 0.0 111.017 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.51 -39.87 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.822 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.86 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.784 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.692 ' H ' HG23 ' A' ' 19' ' ' THR . 67.5 tp -68.26 -52.72 30.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.838 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.26 -53.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.664 0.602 . . . . 0.0 111.334 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -62.32 -38.97 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.541 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -59.92 -43.91 94.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.16 -43.17 99.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 45.3 m-85 -70.34 -33.02 70.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -66.29 -24.69 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.727 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -73.9 -25.37 59.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.324 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mm -85.98 -51.32 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.89 -179.21 23.71 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.025 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.55 107.54 2.3 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -73.41 121.22 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.313 0.578 . . . . 0.0 110.549 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -84.47 -57.34 3.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' HB3' ' OE2' ' A' ' 52' ' ' GLU . 53.7 t30 -153.72 159.38 41.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.817 -171.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' HB3' HD11 ' A' ' 24' ' ' LEU . 8.2 p -126.84 107.16 9.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.245 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 24.9 mmmt -89.09 104.82 17.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 47.3 ttm -100.26 107.87 19.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.348 -176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mm . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.276 -177.267 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 7.2 Cg_exo . . . . . 0 N--CA 1.459 -0.516 0 CA-C-O 120.732 0.222 . . . . 0.0 111.674 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -131.53 151.59 51.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.2 t -127.31 135.94 51.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.699 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.902 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 96.5 m-85 -95.02 122.19 37.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.721 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.79 113.17 41.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.795 0.331 . . . . 0.0 110.192 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 35' ' ' ASN . 42.7 mt-10 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 50.2 m-85 -109.31 155.68 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -87.25 -7.02 58.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.73 120.68 19.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.075 -177.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -63.42 -35.3 79.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.377 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.65 -42.5 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 109.976 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.02 -38.96 92.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.618 171.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.85 89.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.959 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.06 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.83 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 78' ' ' VAL . 1.7 tm? -53.97 -51.07 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.072 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.214 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.36 -29.0 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -171.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.5 mmm -96.79 -32.99 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.679 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.4 t30 -72.77 111.33 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.007 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 -8.64 28.66 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.722 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -84.43 124.06 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -83.19 121.15 26.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.616 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.9 mt -129.23 135.06 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.499 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG2' HG22 ' A' ' 71' ' ' ILE . 21.6 mmt 69.68 -72.37 0.11 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 111.858 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 44.58 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -152.3 166.55 31.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -83.63 138.63 33.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -98.59 148.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.752 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.0 mttm -129.77 109.15 10.72 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.679 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 39.9 t -118.96 99.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -120.0 168.19 11.41 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.667 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.497 ' NE1' ' HG ' ' A' ' 63' ' ' LEU . 91.9 m95 -83.41 116.91 22.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.534 0.207 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.89 106.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 111.985 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -101.69 -3.04 28.92 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.435 0.636 . . . . 0.0 109.78 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.3 m -108.27 140.27 41.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.675 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.605 HD12 HD23 ' A' ' 63' ' ' LEU . 3.6 mm? -104.16 131.14 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.938 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 73.5 t80 -97.66 99.83 11.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.553 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 78' ' ' VAL . 34.6 t -97.35 118.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -116.89 -176.36 17.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER 68.5 25.61 6.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.831 0.453 . . . . 0.0 110.849 -179.685 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.32 158.51 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.604 0.716 . . . . 0.0 111.69 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -126.4 149.93 48.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.522 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -7.49 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.309 0.576 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.04 -9.22 58.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.511 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.9 t -102.5 125.75 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.035 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.5 t -90.88 149.01 22.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 111.471 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.02 -44.9 75.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.079 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.5 68.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.438 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 ' H ' HG23 ' A' ' 19' ' ' THR . 62.2 tp -67.93 -52.84 31.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.053 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 40.5 mm -57.71 -50.94 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.023 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' A' ' 36' ' ' CYS . 3.8 mm? -58.74 -45.41 89.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.397 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.61 -40.11 94.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.688 0.28 . . . . 0.0 111.116 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 37.4 mt -61.9 -46.35 89.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.538 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 68.8 m-85 -76.68 -32.83 58.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.274 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -61.12 -28.6 69.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.096 0.474 . . . . 0.0 110.625 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -42.17 99.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.658 176.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.17 -48.69 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.844 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.06 170.55 35.47 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.161 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.68 122.04 8.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.779 2.319 . . . . 0.0 112.091 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.9 p -77.62 136.61 38.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.464 0.649 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.31 -48.03 7.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -154.82 155.73 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.498 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.663 ' HB3' HD11 ' A' ' 24' ' ' LEU . 9.8 p -131.11 123.22 28.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 123.381 0.425 . . . . 0.0 110.409 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.777 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.3 mmmm -124.72 106.55 10.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.098 0.475 . . . . 0.0 110.723 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.3 tpp -92.14 105.78 17.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.06 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 mm . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.513 . . . . 0.0 110.373 -178.337 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.462 -0.335 0 CA-C-O 121.111 0.38 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.87 154.23 42.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.611 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.528 ' SG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -129.81 134.96 47.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.777 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 66.8 m-85 -95.29 116.36 28.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 9' ' ' LEU . 4.0 p -118.59 111.89 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.308 0.575 . . . . 0.0 110.097 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -98.04 139.5 33.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.864 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 9' ' ' LEU . 28.3 m-85 -104.48 156.84 17.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.052 0.453 . . . . 0.0 110.529 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.45 -9.38 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.38 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.2 121.68 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.291 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -63.26 -29.47 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 57' ' ' ARG . 27.1 mtm105 -60.23 -43.4 96.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.47 -23.05 34.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.262 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.05 -39.32 89.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.883 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.32 91.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.241 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.9 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.669 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.605 HD23 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -54.06 -52.52 60.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.221 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.38 -20.35 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.63 -37.31 15.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -102.68 -15.62 16.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -73.02 111.03 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.655 0.264 . . . . 0.0 110.733 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.11 10.7 55.86 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.743 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 76' ' ' VAL . 61.0 ttt180 -82.88 144.66 29.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 111.116 -173.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -77.05 98.98 5.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.716 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.597 HD12 HG11 ' A' ' 76' ' ' VAL . 70.2 mt -120.49 121.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.555 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt 66.0 -78.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 111.846 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.78 27.31 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 23.9 tptm -140.52 143.71 35.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -175.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.39 108.58 8.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.597 HG11 HD12 ' A' ' 71' ' ' ILE . 24.7 m -79.1 131.11 35.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.7 mttp -123.63 121.07 34.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.062 0.458 . . . . 0.0 110.975 -176.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 11' ' ' VAL . 21.8 t -109.49 119.84 59.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.887 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -124.17 164.34 19.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.07 113.74 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.528 0.204 . . . . 0.0 110.729 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.018 0.437 . . . . 0.0 110.824 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.28 126.03 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.39 2.06 . . . . 0.0 112.618 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.22 -15.28 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.185 0.517 . . . . 0.0 110.08 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 52' ' ' GLU . 3.0 m -88.33 119.68 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.379 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.827 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -98.76 123.23 42.85 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.877 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 82.4 t80 -91.69 105.61 17.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 59.2 t -106.91 121.08 59.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.81 176.42 17.58 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.199 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 67.16 50.71 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.089 0.556 . . . . 0.0 111.011 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -84.5 148.23 26.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.168 0.508 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.771 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.6 t -97.81 151.53 20.11 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.681 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -9.11 57.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -174.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.36 4.87 31.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.287 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.771 HG23 ' HB3' ' A' ' 15' ' ' SER . 97.4 t -81.42 145.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.9 t -125.88 153.71 43.77 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.274 -177.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 35.5 tt0 -50.46 -47.21 56.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.631 0.372 . . . . 0.0 111.192 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.51 63.87 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.919 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' H ' HG23 ' A' ' 19' ' ' THR . 10.4 tt -77.55 -46.38 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.962 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 HD11 HG11 ' A' ' 18' ' ' VAL . 47.0 mm -60.59 -45.48 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.406 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.2 mm? -55.16 -43.95 74.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.948 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -68.68 -48.8 63.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -176.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.96 -47.08 84.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -176.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.53 -22.89 43.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.501 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 32.5 t -64.26 -31.24 72.36 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.018 0.437 . . . . 0.0 110.299 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.59 -30.02 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.587 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -89.43 -46.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 -178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.72 165.29 37.42 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.259 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 41.7 Cg_endo -68.18 122.81 9.9 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.563 2.176 . . . . 0.0 111.906 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.4 m -87.46 137.2 32.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.123 0.487 . . . . 0.0 111.054 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -94.17 -57.73 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.02 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -137.0 127.07 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.06 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' SG ' HG23 ' A' ' 51' ' ' VAL . 57.5 m -122.6 104.65 9.49 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -101.7 137.65 39.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.832 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttt -113.14 101.84 9.82 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.009 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mm . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.586 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 C--O 1.235 0.332 0 CA-C-O 121.38 0.491 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.808 ' HA ' HD23 ' A' ' 14' ' ' LEU . 30.5 p90 -145.97 167.18 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.526 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.626 ' SG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -137.9 148.11 45.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.986 0.422 . . . . 0.0 111.63 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.6 110.9 22.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.544 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 9' ' ' LEU . 3.6 p -113.12 111.87 37.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.351 0.596 . . . . 0.0 110.435 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 8' ' ' THR . 35.9 mt-10 -103.03 130.59 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.525 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.56 157.22 16.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 89.3 m-70 -79.47 -21.78 44.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.64 106.78 10.37 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.208 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -65.05 -32.25 73.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.518 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -66.51 -29.52 69.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.008 0.432 . . . . 0.0 110.325 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -86.18 -23.98 26.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.827 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.69 -33.51 74.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 110.346 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.498 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -40.12 81.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.86 93.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.443 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 3.1 tm? -54.7 -40.51 69.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.29 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.66 -59.36 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.347 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.0 -23.99 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -168.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.1 mmm -100.43 -4.19 29.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.457 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 26.4 t-20 -71.64 112.08 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.677 0.275 . . . . 0.0 110.856 -177.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.32 11.35 64.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.1 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 76' ' ' VAL . 24.9 ttt180 -80.26 140.17 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 110.753 -174.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -81.17 114.06 19.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.718 HD12 HG11 ' A' ' 76' ' ' VAL . 65.4 mt -120.76 119.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.141 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.3 mmt 66.51 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.92 12.33 1.1 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.887 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -136.5 142.78 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.914 0.387 . . . . 0.0 110.184 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.96 109.57 16.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 71' ' ' ILE . 15.4 m -71.28 148.44 10.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.266 0.555 . . . . 0.0 110.797 -176.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 59.2 mtpt -124.15 133.84 53.47 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.993 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.548 HG22 HG22 ' A' ' 11' ' ' VAL . 41.9 t -123.49 110.21 25.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.52 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -123.23 146.54 47.74 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -73.22 107.7 5.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.309 0.576 . . . . 0.0 110.251 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.877 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.155 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.758 0.313 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.1 132.07 25.26 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.463 2.109 . . . . 0.0 112.387 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 98.1 mttt -94.08 9.26 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.42 . . . . 0.0 110.339 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' HG2' ' A' ' 52' ' ' GLU . 28.9 m -110.61 118.99 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.584 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.9 mm? -92.95 133.37 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 64.4 t80 -102.78 96.95 7.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 57.3 t -100.13 118.19 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.432 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.42 171.88 15.07 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.471 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 t30 68.2 49.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 110.637 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 HG11 ' A' ' 18' ' ' VAL . 87.3 mt -85.52 130.9 34.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.84 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.468 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.2 t -92.06 166.66 12.55 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.876 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -75.08 -9.84 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.43 -17.17 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.764 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 15' ' ' SER . 77.8 t -86.65 107.99 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.687 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -87.42 149.4 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.9 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.044 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -65.24 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.896 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 2.6 tm? -85.38 -51.24 6.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.417 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -59.19 -57.04 13.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.285 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 36' ' ' CYS . 37.4 mt -60.79 -31.29 70.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.613 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 48.9 tt0 -68.39 -46.95 68.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 46.3 mt -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.119 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 59.0 m-85 -73.7 -34.87 65.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.474 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -65.45 -25.23 67.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.078 0.466 . . . . 0.0 110.602 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -71.33 -23.52 61.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.441 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.472 HG21 ' HB2' ' A' ' 62' ' ' ALA . 45.8 mm -93.57 -53.22 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.1 177.51 23.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.031 -176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 59.6 Cg_endo -76.09 110.15 3.02 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.944 2.429 . . . . 0.0 112.246 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.37 129.52 37.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.654 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -89.32 -53.04 4.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.26 0.552 . . . . 0.0 110.159 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -162.27 144.96 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.422 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' HB2' HD21 ' A' ' 24' ' ' LEU . 43.7 t -109.16 127.01 53.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.32 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 34.0 tptt -110.94 130.36 55.61 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.53 107.43 11.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.715 -174.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo . . . . . 0 CA--C 1.518 -0.29 0 CA-C-O 120.879 0.283 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -124.05 150.58 44.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.381 0.61 . . . . 0.0 111.185 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -124.03 136.29 54.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.817 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 88.0 m-85 -96.0 107.9 20.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.835 174.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -101.45 105.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.045 0.45 . . . . 0.0 109.872 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HG2' HG23 ' A' ' 8' ' ' THR . 35.8 mt-10 -93.01 129.39 38.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -176.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 53.5 m-85 -107.85 164.98 11.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.215 0.531 . . . . 0.0 110.839 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 85.4 m-70 -92.42 -7.81 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.109 172.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.6 tm-20 -140.54 114.53 9.04 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.104 -166.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.479 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 83.4 t60 -79.0 -30.18 44.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.672 -175.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.529 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 32.0 ttt180 -62.35 -36.57 82.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 110.32 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -82.1 -33.19 29.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.189 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.37 -33.57 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.68 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.13 79.92 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.812 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.61 84.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.597 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' A' ' 30' ' ' ILE . . . -58.22 -42.47 86.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.779 HD12 HG12 ' A' ' 78' ' ' VAL . 7.3 tp -57.74 -55.07 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.92 79.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.958 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.03 -33.65 63.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.721 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.62 ' HB3' HG21 ' A' ' 78' ' ' VAL . 36.7 tpp -86.42 -40.96 14.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.543 -175.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.668 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.3 t30 -70.38 134.81 48.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.512 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 11.0 85.61 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.484 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -100.05 127.13 46.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.02 112.57 3.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.979 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.5 mt -135.44 125.53 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.931 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.464 ' CE ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 58.99 26.27 14.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.071 0.463 . . . . 0.0 110.914 -178.176 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.25 70.14 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.442 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.772 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 9.5 mmpt? -116.19 160.46 20.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.274 0.559 . . . . 0.0 111.309 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -91.94 110.17 21.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.541 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.0 146.9 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.666 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttp -129.29 120.96 26.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.779 HG12 HD12 ' A' ' 63' ' ' LEU . 18.5 t -115.2 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.027 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -116.41 147.41 41.69 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.623 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -86.7 102.53 14.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.362 0.601 . . . . 0.0 109.693 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--O 1.235 0.328 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.952 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.9 mtm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.76 98.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.786 2.324 . . . . 0.0 112.053 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 31.1 ttmt -91.45 -4.48 55.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.501 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -108.82 131.37 55.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.967 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.1 mm? -100.25 129.98 46.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.547 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 24.3 t80 -94.65 106.93 18.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.344 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.627 HG22 HG22 ' A' ' 78' ' ' VAL . 45.0 t -111.23 122.53 65.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.23 -175.89 20.8 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.653 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.67 48.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.476 0.71 . . . . 0.0 111.248 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.5 mm? -91.57 171.64 9.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.697 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.776 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.8 t -139.24 147.54 41.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -65.07 -13.44 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.88 8.07 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.776 HG23 ' HB3' ' A' ' 15' ' ' SER . 93.3 t -95.94 116.07 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.1 t -75.13 144.12 42.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.586 0.708 . . . . 0.0 111.102 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.85 -31.1 72.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.625 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.56 71.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.175 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' H ' HG23 ' A' ' 19' ' ' THR . 57.7 tp -72.87 -56.47 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.397 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.79 -46.57 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.93 -32.14 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.413 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.41 -46.0 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.632 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.79 -49.67 72.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 92.9 m-85 -74.68 -31.92 62.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.5 t -65.1 -29.11 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.186 0.517 . . . . 0.0 110.271 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.83 -18.55 62.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 62' ' ' ALA . 45.2 mm -99.38 -52.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.63 169.36 24.63 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.717 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.85 116.25 4.36 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.041 2.494 . . . . 0.0 112.148 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.02 137.75 45.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.25 0.548 . . . . 0.0 111.048 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 57.6 tttt -106.14 -55.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.811 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -156.45 158.85 38.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 p -138.24 117.14 12.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.966 0.412 . . . . 0.0 110.841 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.825 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 30.4 mmmt -101.12 106.98 18.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 ptm -92.18 99.09 11.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.488 0.661 . . . . 0.0 110.856 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.234 -177.649 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.462 -0.382 0 CA-C-O 121.016 0.34 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' A' ' 14' ' ' LEU . 22.1 p90 -153.65 166.53 32.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.319 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.44 140.93 46.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 76.1 m-85 -100.66 105.44 16.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.924 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 9' ' ' LEU . 14.4 m -101.36 121.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.193 0.521 . . . . 0.0 110.57 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 41.3 mt-10 -100.74 137.9 38.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.89 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 38.0 m-85 -106.3 175.6 5.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.696 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -99.64 -12.36 20.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.477 0.656 . . . . 0.0 109.246 170.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.4 tm-20 -135.88 120.36 18.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.156 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -76.7 -33.78 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.658 -173.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.502 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.3 ttt180 -65.43 -36.53 84.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.236 0.541 . . . . 0.0 110.263 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -73.81 -34.2 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.809 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.843 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -62.75 -33.11 74.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.607 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.01 -50.5 68.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.9 92.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -59.42 -46.01 89.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.49 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.507 HD12 HG12 ' A' ' 78' ' ' VAL . 4.1 tt -63.1 -43.98 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.794 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.27 72.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.82 -35.11 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.1 mmm -87.82 -23.5 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.58 110.72 4.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.16 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.84 10.26 56.61 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.167 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.1 tpt180 -78.22 166.32 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -119.6 107.17 12.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.436 HD13 HG11 ' A' ' 76' ' ' VAL . 3.4 mp -117.79 124.18 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.455 ' HG3' HG22 ' A' ' 18' ' ' VAL . 9.7 mmt 63.63 18.38 11.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.357 0.411 . . . . 0.0 111.335 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.89 -4.42 85.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 13.4 mptt -90.3 138.16 31.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 69' ' ' ARG . 16.8 m -86.13 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.189 0.519 . . . . 0.0 110.333 -175.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.8 mttp -127.08 122.12 33.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.954 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.627 HG22 HG22 ' A' ' 11' ' ' VAL . 28.5 t -113.84 123.42 69.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.143 -176.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -136.84 154.37 50.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.821 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.479 ' CD1' HD13 ' A' ' 63' ' ' LEU . 21.6 m0 -69.67 119.4 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.361 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.577 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 80' ' ' TRP . 15.4 Cg_exo -69.46 120.98 7.74 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.965 2.443 . . . . 0.0 112.824 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -86.38 -15.05 41.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -94.48 125.65 39.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.079 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.811 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.0 mm? -94.1 139.11 31.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.058 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HD2' ' CE2' ' A' ' 50' ' ' PHE . 79.3 t80 -105.15 96.36 6.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.083 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 78' ' ' VAL . 39.0 t -99.45 112.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.252 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.14 21.22 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.962 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 69.62 32.66 3.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.146 0.557 . . . . 0.0 111.36 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 57.0 mt -72.38 154.21 41.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.914 0.388 . . . . 0.0 109.962 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.621 ' OG ' ' HD3' ' A' ' 74' ' ' LYS . 3.5 m -122.27 172.92 7.95 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.59 -23.36 63.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.689 0.757 . . . . 0.0 108.963 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB3' ' HE2' ' A' ' 72' ' ' MET . 6.1 m-20 -74.31 -18.15 60.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.037 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.471 HG11 HD22 ' A' ' 14' ' ' LEU . 57.3 t -85.68 130.37 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 22' ' ' LEU . 5.2 t -106.95 144.91 32.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.36 -37.77 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.935 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.405 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 26' ' ' LEU . 48.4 tp -71.16 -52.05 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.547 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.84 -51.7 49.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.68 -29.99 70.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.434 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -65.67 -43.0 90.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.023 0.439 . . . . 0.0 110.281 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -58.37 -46.83 85.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.978 177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.581 ' HD2' ' HB1' ' A' ' 62' ' ' ALA . 61.2 m-85 -73.29 -35.1 66.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.63 -24.57 67.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -69.37 -24.05 63.83 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.562 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.5 -49.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.51 158.21 28.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.617 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.7 124.69 8.96 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.979 2.452 . . . . 0.0 112.637 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -97.97 146.02 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.857 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.675 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 41.2 pttt -102.03 -31.11 10.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.852 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -151.53 148.69 28.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.588 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.7 p -132.03 112.69 12.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.25 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.886 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 mmmm -89.91 106.65 18.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.204 0.526 . . . . 0.0 110.139 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 95.0 mmm -91.44 98.7 11.84 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.887 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 45.3 mm . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.282 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 20.5 Cg_exo . . . . . 0 C--O 1.235 0.357 0 CA-C-O 121.163 0.401 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 19.0 p90 -135.34 147.15 49.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB2' HD11 ' A' ' 14' ' ' LEU . 53.2 t -120.2 136.37 54.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.886 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 79.5 m-85 -103.66 115.54 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.15 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.0 m -115.03 123.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.887 0.375 . . . . 0.0 111.005 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -98.2 120.43 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 22.7 m-85 -87.79 158.14 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.748 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.675 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 30.8 m80 -86.24 -8.6 57.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.286 173.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -139.03 114.81 10.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.45 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -66.31 -30.13 70.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.71 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -63.96 -34.76 78.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -85.27 -28.61 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.293 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.811 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -60.25 -40.1 89.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.272 174.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.84 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.589 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.04 88.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.726 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 27' ' ' PHE . . . -63.92 -37.6 88.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.595 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 80' ' ' TRP . 9.9 tt -59.51 -51.19 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.244 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.13 86.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.02 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.32 -33.34 49.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE1' ' HG ' ' A' ' 26' ' ' LEU . 13.6 tpt -91.54 -25.56 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.658 0.266 . . . . 0.0 111.353 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -61.65 110.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 10.13 51.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.119 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 11.5 tpt180 -71.64 152.64 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.7 ' HD3' ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.59 127.17 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 72' ' ' MET . 44.4 mt -138.41 117.76 14.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 71' ' ' ILE . 93.0 mmm 69.04 -5.03 1.11 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.746 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.56 -9.39 6.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.9 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.621 ' HD3' ' OG ' ' A' ' 15' ' ' SER . 28.5 mtpp -117.28 166.66 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -96.03 120.43 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.396 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.522 HG11 HD12 ' A' ' 71' ' ' ILE . 17.4 m -81.07 139.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.0 mttm -123.88 118.38 26.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.256 0.551 . . . . 0.0 110.785 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 11' ' ' VAL . 43.8 t -109.31 107.22 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.536 -176.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -110.39 -176.99 3.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.506 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . 10.0 p-90 -111.16 133.82 53.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.832 0.349 . . . . 0.0 110.225 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.987 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.439 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 66.4 mtt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 5' ' ' MET . 14.3 Cg_endo -56.35 109.8 0.49 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.214 2.609 . . . . 0.0 113.144 -173.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.46 -10.17 25.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -112.24 132.71 54.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.876 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.569 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -95.8 127.69 42.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 34.3 t80 -90.8 97.19 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.745 HG21 ' HZ ' ' A' ' 27' ' ' PHE . 43.7 t -114.63 112.83 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 111.56 -175.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -108.31 127.66 8.75 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.701 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 2.7 p-10 177.87 -7.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.638 0.257 . . . . 0.0 110.61 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 89.6 mt -55.93 140.37 43.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.389 0.614 . . . . 0.0 111.619 -170.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 m -147.3 178.89 8.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.357 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -55.38 -46.63 76.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.69 14.04 9.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.87 130.75 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.0 t -118.62 153.77 33.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -53.67 -48.31 69.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.729 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -36.91 71.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.584 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 26' ' ' LEU . 60.9 tp -66.51 -53.99 28.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.057 0.456 . . . . 0.0 110.109 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.68 -49.08 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.291 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -64.68 -33.42 75.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.333 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -64.55 -40.46 95.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 0.0 110.032 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.0 mm? -63.57 -29.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.245 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.745 ' HZ ' HG21 ' A' ' 11' ' ' VAL . 55.6 m-85 -87.25 -28.22 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.478 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -71.42 -20.19 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.007 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 10.8 pt20 -75.61 -11.97 60.12 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.03 -50.7 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.26 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.42 161.47 30.14 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.07 116.5 4.03 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.861 2.374 . . . . 0.0 112.209 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -77.47 136.66 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -100.31 -47.48 4.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.59 153.56 34.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.212 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HB3' HD21 ' A' ' 24' ' ' LEU . 12.0 p -128.67 125.69 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.482 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.94 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.2 mmmt -111.06 106.19 15.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 ttt -88.7 114.1 24.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.908 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.234 0.54 . . . . 0.0 110.079 178.827 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.627 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.6 Cg_exo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 121.229 0.429 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 15.9 p90 -129.26 162.68 27.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.031 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HB2' HD11 ' A' ' 14' ' ' LEU . 42.6 t -134.07 139.31 45.89 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.366 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.94 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 89.9 m-85 -95.53 133.48 39.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.404 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.48 121.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.999 0.428 . . . . 0.0 111.036 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.07 130.49 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.602 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 14.6 m-85 -102.04 145.52 29.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.921 0.391 . . . . 0.0 110.611 176.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.117 174.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -125.4 109.83 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.669 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.64 -32.57 69.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.372 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 57' ' ' ARG . 40.1 mtp180 -67.57 -36.27 80.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -79.36 -21.23 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.327 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.569 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.94 -32.63 74.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.472 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.737 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -64.81 -46.34 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.122 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.92 88.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -61.12 -57.29 13.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.725 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.52 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.907 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 -33.19 61.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.602 ' HB3' HG21 ' A' ' 78' ' ' VAL . 42.7 tpp -92.05 -39.48 11.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.716 -174.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.717 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.0 t30 -63.98 125.38 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 111.099 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.17 66.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.48 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.587 ' O ' HG22 ' A' ' 76' ' ' VAL . 72.9 ttt180 -79.57 156.61 27.64 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -105.03 119.24 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 0.0 110.113 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.49 HD12 HG11 ' A' ' 76' ' ' VAL . 71.7 mt -137.49 126.77 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.017 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 62.75 23.71 14.13 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.513 0.508 . . . . 0.0 110.564 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.57 2.94 57.15 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.6 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -105.48 167.02 10.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.415 . . . . 0.0 110.737 -176.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.36 111.74 23.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.513 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.701 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 11.8 m -84.78 134.51 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.4 mtmm -126.51 134.01 51.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.763 HG12 HD12 ' A' ' 63' ' ' LEU . 26.2 t -128.75 109.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.246 0.546 . . . . 0.0 109.98 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -120.85 157.57 29.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.422 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.737 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.7 m95 -77.59 112.97 14.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.65 0.262 . . . . 0.0 110.515 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.269 0.557 . . . . 0.0 109.652 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.608 0.242 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 45.9 Cg_endo -70.52 140.44 39.82 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.509 2.14 . . . . 0.0 112.538 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -116.46 9.37 14.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 109.857 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 12.1 m -112.32 128.82 56.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.365 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.29 123.28 39.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.965 0.412 . . . . 0.0 109.946 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.744 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 53.2 t80 -96.67 98.54 10.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 78' ' ' VAL . 59.2 t -98.77 112.51 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.05 167.07 12.59 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.272 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.1 m120 74.35 54.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.398 0.679 . . . . 0.0 111.776 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 49' ' ' CYS . 85.1 mt -82.76 -176.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 177.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.782 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 46.3 t -148.37 162.98 38.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.562 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -16.53 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 109.857 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -78.18 -21.98 49.32 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.192 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.2 t -82.97 139.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.371 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -126.7 149.07 49.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.158 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -25.81 65.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.837 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.19 -51.69 6.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.879 0.371 . . . . 0.0 110.592 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.57 -48.87 84.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.111 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -65.85 -29.09 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.471 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.08 -46.6 83.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.266 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.15 -45.67 92.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.686 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -67.83 -36.63 80.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -63.99 -26.7 68.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.228 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.43 -20.14 60.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.531 HG22 ' HB3' ' A' ' 58' ' ' HIS . 35.8 mm -101.04 -51.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.377 -177.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.6 158.34 27.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.447 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 55' ' ' GLU . 35.4 Cg_exo -61.16 119.53 6.73 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.156 2.57 . . . . 0.0 111.956 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.3 m -80.34 135.38 36.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.702 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.09 -46.49 10.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.445 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -165.29 167.19 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.447 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.707 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.6 p -137.63 124.45 21.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.157 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -125.95 105.66 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.034 0.445 . . . . 0.0 110.805 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 61.7 mtm -90.93 109.5 20.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.866 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo . . . . . 0 N--CA 1.473 0.312 0 N-CA-C 113.833 0.666 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -140.99 165.46 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.631 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.543 ' HB2' HD11 ' A' ' 14' ' ' LEU . 43.3 t -136.39 142.46 43.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.198 0.523 . . . . 0.0 111.28 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -100.86 119.22 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.999 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -123.79 114.91 43.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 8' ' ' THR . 43.4 mt-10 -99.36 146.02 26.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.87 0.367 . . . . 0.0 111.069 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB3' ' H ' ' A' ' 55' ' ' GLU . 3.8 m-85 -113.65 152.59 30.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.69 -7.59 58.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 49.4 mm-40 -118.16 97.32 5.74 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.981 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -65.87 -30.12 70.67 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -67.14 -46.36 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.784 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' HB3' HG22 ' A' ' 30' ' ' ILE . 23.4 m80 -79.41 -16.89 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.491 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.18 74.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.45 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.8 85.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.02 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.12 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.918 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.32 89.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.473 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HA ' HG11 ' A' ' 78' ' ' VAL . 10.3 tt -61.87 -53.05 61.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.562 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.6 -14.69 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ttt -116.59 -29.1 6.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.713 -0.395 . . . . 0.0 112.037 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 114.96 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 0.0 111.646 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.02 10.04 63.08 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.87 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.646 ' O ' HG22 ' A' ' 76' ' ' VAL . 74.4 ttt180 -93.15 132.26 37.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -79.41 121.12 24.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.253 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -128.63 115.98 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 mmt 59.99 43.95 13.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.245 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.8 -35.97 3.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.642 174.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.782 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 10.8 mmmm -95.13 148.64 22.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 111.737 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.37 109.62 20.14 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.796 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 69' ' ' ARG . 16.4 m -75.0 145.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.266 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 65.6 mttm -126.93 116.01 20.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.887 0.375 . . . . 0.0 110.282 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 11' ' ' VAL . 36.1 t -104.11 114.98 45.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.5 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -120.46 159.22 25.59 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.063 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.433 ' CE3' ' HG2' ' A' ' 6' ' ' PRO . 99.4 m95 -78.83 102.37 8.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 175.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.187 0.518 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.55 ' HG2' ' HE3' ' A' ' 80' ' ' TRP . 11.2 Cg_exo -71.21 127.43 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.63 2.22 . . . . 0.0 111.527 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 32.6 ttmt -97.89 4.91 49.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.69 0.757 . . . . 0.0 109.4 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -115.76 124.28 50.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.31 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.771 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -98.01 143.45 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.523 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.65 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 40.5 t80 -115.77 112.84 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.789 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 1.6 m -117.01 142.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.549 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.12 179.69 16.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.859 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 75' ' ' GLU . 61.9 t30 65.48 58.6 0.82 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 110.64 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.2 mm? -98.1 -177.38 3.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.605 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.444 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 27.9 t -148.62 148.65 30.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.561 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' CD ' ' H ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -66.06 -7.45 17.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.845 -179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.71 -26.28 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 109.983 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 22' ' ' LEU . 42.4 t -74.73 141.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.295 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.6 t -120.43 158.94 26.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.562 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.24 -46.8 76.03 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.73 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.32 -25.8 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.689 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 18' ' ' VAL . 60.0 tp -80.27 -50.63 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.207 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 HG11 ' A' ' 18' ' ' VAL . 38.0 mm -57.95 -53.56 43.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.372 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.47 -47.97 82.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.535 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -62.32 -40.73 97.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.134 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 34.3 mt -56.42 -47.57 78.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 91.3 m-85 -78.66 -30.38 46.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.209 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.4 m -65.22 -26.73 68.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.154 0.502 . . . . 0.0 110.452 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.13 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.327 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.81 -52.86 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.82 165.99 26.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.933 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.97 120.01 7.16 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.813 2.342 . . . . 0.0 112.242 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -78.44 128.45 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.654 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -88.39 -51.19 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -170.96 153.92 4.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.933 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -136.1 108.16 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.94 0.4 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -95.07 106.72 18.74 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.242 0.544 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.431 ' O ' ' HG2' ' A' ' 38' ' ' MET . 1.1 pmm? -87.36 102.37 14.45 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.52 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.2 mm . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.744 -178.2 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.666 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.6 Cg_endo . . . . . 0 CA--C 1.531 0.371 0 N-CA-C 114.542 0.939 . . . . 0.0 114.542 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.781 ' HA ' HD23 ' A' ' 14' ' ' LEU . 11.9 p90 -144.2 154.49 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.43 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -121.81 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.115 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -97.93 117.16 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.247 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 9' ' ' LEU . 46.1 t -113.24 114.25 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 -177.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -103.87 128.75 51.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 59.5 m-85 -105.67 174.77 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.23 -7.72 24.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.4 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 2.0 tm-20 -139.67 119.11 12.96 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.448 -170.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -77.75 -34.83 52.28 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -172.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -70.4 -26.06 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.343 0.592 . . . . 0.0 109.811 -177.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -83.01 -35.0 26.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.36 -39.92 84.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.426 175.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.09 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.284 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.04 72.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.3 79.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.406 HD11 ' HD1' ' A' ' 80' ' ' TRP . 9.3 tt -54.98 -58.53 7.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.497 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.88 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.779 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -31.08 41.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.862 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.28 -24.06 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -62.11 121.1 12.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.138 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.43 9.3 60.39 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.756 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 76' ' ' VAL . 23.7 ttt180 -85.74 128.26 34.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 0.0 110.123 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.55 125.72 34.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.341 0.591 . . . . 0.0 110.454 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.4 mt -125.82 119.05 53.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.889 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 69.07 -74.59 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.877 0.735 . . . . 0.0 110.795 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.09 10.17 0.46 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.152 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 67.8 mmtt -123.99 161.41 25.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 110.741 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ASN . 37.3 tt0 -117.21 108.0 15.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.817 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 69' ' ' ARG . 18.2 m -75.25 146.22 9.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 -174.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.789 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 85.1 mttt -132.09 107.07 8.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 HG12 ' A' ' 11' ' ' VAL . 25.1 t -97.81 105.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.103 -176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -115.78 149.71 38.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.55 ' HE3' ' HG2' ' A' ' 6' ' ' PRO . 2.7 p-90 -79.88 104.75 10.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.121 0.486 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.94 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.95 98.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.523 2.149 . . . . 0.0 111.463 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.77 -12.25 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.875 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.8 m -105.66 131.21 53.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.659 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.811 HD12 HD23 ' A' ' 63' ' ' LEU . 2.9 mm? -97.89 124.63 42.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.811 0.339 . . . . 0.0 110.144 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -91.19 100.89 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.769 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 78' ' ' VAL . 41.1 t -103.7 117.49 49.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.33 172.38 14.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.501 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 66.44 64.13 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.582 0.706 . . . . 0.0 110.673 -176.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.4 mm? -98.31 -169.51 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.979 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.447 ' HB2' HG23 ' A' ' 18' ' ' VAL . 65.5 m -148.17 164.3 34.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.775 0.321 . . . . 0.0 110.524 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.0 mpt_? -77.29 -13.82 59.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.187 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -98.06 7.78 45.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.449 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 HD23 ' A' ' 22' ' ' LEU . 62.0 t -104.92 115.12 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.502 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 22' ' ' LEU . 9.5 t -96.06 159.3 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.41 -50.02 66.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.74 70.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.697 ' H ' HG23 ' A' ' 19' ' ' THR . 51.9 tp -67.12 -52.63 39.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.033 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -56.72 -46.72 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.592 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.48 -49.57 72.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -60.25 -41.98 94.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 0.0 111.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.537 HD12 ' HE1' ' A' ' 66' ' ' MET . 3.8 mm? -63.29 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.701 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 67.9 m-85 -86.45 -32.54 20.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -57.25 -36.29 70.78 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.884 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.53 -19.61 64.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.327 . . . . 0.0 111.307 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 62' ' ' ALA . 39.9 mm -91.51 -48.36 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.35 0.595 . . . . 0.0 109.537 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' HA3' ' CD2' ' A' ' 58' ' ' HIS . . . -158.31 155.82 26.82 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.054 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.04 123.79 10.7 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.797 2.331 . . . . 0.0 112.722 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 p -104.53 141.51 36.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.757 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.626 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 22.6 tptm -113.15 -33.19 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -128.12 147.95 50.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.464 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.36 124.23 9.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.098 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -122.45 105.72 10.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.495 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.46 104.56 16.6 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.396 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.5 mm . . . . . 0 C--N 1.32 -0.694 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.563 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.2 Cg_endo . . . . . 0 C--O 1.231 0.143 0 N-CA-C 114.494 0.921 . . . . 0.0 114.494 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.69 ' HA ' HD23 ' A' ' 14' ' ' LEU . 13.8 p90 -138.05 157.37 46.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.713 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -132.79 139.67 47.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.091 0.472 . . . . 0.0 111.453 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.03 114.6 28.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.204 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 m -113.63 133.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.738 0.304 . . . . 0.0 110.838 176.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -108.58 130.37 55.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.174 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.9 m-85 -105.18 157.48 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.541 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.626 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 50.8 m80 -86.36 -10.66 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.552 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -136.77 120.22 16.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.307 -175.149 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -68.33 -27.94 66.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.253 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 59.9 ttt180 -64.46 -51.18 64.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.457 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.7 p-80 -90.76 -6.59 54.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.725 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.56 99.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.35 83.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.667 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 58' ' ' HIS . . . -57.22 -48.49 78.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.123 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -64.52 -38.6 91.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.811 HD23 HD12 ' A' ' 9' ' ' LEU . 1.8 tm? -51.47 -58.44 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.113 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.82 71.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.938 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.537 ' HE1' HD12 ' A' ' 26' ' ' LEU . 40.8 tpp -87.63 -26.78 22.87 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.424 -174.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -68.15 117.92 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.144 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 10.04 57.63 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.948 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -81.17 159.43 24.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -108.26 85.48 2.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 76' ' ' VAL . 66.7 mt -92.62 109.24 21.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.174 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.0 mmt 67.88 -74.73 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.031 0.832 . . . . 0.0 111.487 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.06 33.7 0.17 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.235 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.94 141.85 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -75.27 109.67 8.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.822 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 71' ' ' ILE . 24.2 m -93.59 138.03 21.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.457 0.646 . . . . 0.0 111.16 -175.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.6 mttm -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.858 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.74 HG12 HD22 ' A' ' 63' ' ' LEU . 14.4 t -120.87 109.89 26.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.824 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.63 170.72 9.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.333 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -71.25 129.21 38.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.832 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.161 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.09 -18.5 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.094 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.87 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -83.78 11.82 6.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.115 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt -119.19 75.69 15.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.231 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.815 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 65.4 Cg_endo -77.32 144.91 23.54 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.979 2.453 . . . . 0.0 113.617 -175.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -104.27 3.17 32.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.993 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -98.92 124.34 43.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.06 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.646 ' HB2' HG23 ' A' ' 51' ' ' VAL . 3.5 mm? -99.37 130.64 45.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.899 0.381 . . . . 0.0 110.365 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.9 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 57.0 t80 -99.05 92.92 5.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.573 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 21.2 t -98.44 115.83 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.239 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.12 -173.07 21.06 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.399 176.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 76' ' ' VAL . 4.8 m-20 72.8 30.8 1.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.783 0.433 . . . . 0.0 111.169 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -83.02 172.6 12.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.266 0.555 . . . . 0.0 111.569 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.946 ' HB2' ' HD2' ' A' ' 74' ' ' LYS . 24.8 t -141.95 152.38 43.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.192 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -16.16 63.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.035 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.46 -5.31 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.673 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 15' ' ' SER . 47.6 t -85.75 98.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 174.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.2 t -69.15 143.28 54.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.73 0.776 . . . . 0.0 111.459 -173.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.42 -28.52 70.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.46 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' H ' HG23 ' A' ' 19' ' ' THR . 61.1 tp -73.62 -48.26 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.511 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.09 -48.36 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.893 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 36' ' ' CYS . 2.7 mm? -58.98 -44.27 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.07 -41.8 88.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.801 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.56 -41.02 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.316 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 62.0 m-85 -77.38 -34.34 54.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.446 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -66.78 -17.32 64.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.281 0.562 . . . . 0.0 110.731 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -77.65 -14.54 59.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.412 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.5 mm -105.37 -52.42 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.32 169.83 30.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.596 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.76 108.31 2.05 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.675 2.25 . . . . 0.0 111.491 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -74.23 136.1 42.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -99.06 -44.84 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.719 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -147.75 154.46 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.709 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' HD21 ' A' ' 24' ' ' LEU . 5.7 p -154.81 118.99 4.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.131 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 12.4 mmmm -129.1 108.93 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.034 0.445 . . . . 0.0 111.546 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 ttt -87.45 108.59 19.08 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.19 94.26 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.2 0.524 . . . . 0.0 110.787 -174.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.3 ptm -72.36 98.64 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.406 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.6 143.14 42.48 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.122 0.963 . . . . 0.0 111.764 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.7 m -102.44 -23.71 13.9 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.993 -174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.82 -20.45 18.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -166.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.4 42.27 1.39 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.867 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -103.17 -170.23 1.76 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 22.5 t70 -86.04 115.53 62.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 10.9 Cg_exo -70.57 139.35 37.21 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.626 2.217 . . . . 0.0 112.132 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' HA ' HD23 ' A' ' 14' ' ' LEU . 19.9 p90 -139.78 164.52 29.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -133.22 140.53 47.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.78 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -103.62 108.75 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.939 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 9' ' ' LEU . 12.3 m -113.43 122.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.11 0.481 . . . . 0.0 110.583 177.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -108.4 137.01 47.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 65.0 m-85 -106.02 159.68 15.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 110.675 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -80.47 -11.25 59.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.03 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.593 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -139.99 110.23 6.57 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.838 -169.441 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -64.65 -34.31 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.392 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.593 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.6 ttt180 -69.11 -26.3 64.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.34 0.59 . . . . 0.0 110.545 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 55' ' ' GLU . 22.2 m80 -83.68 -35.02 24.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.426 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.58 -34.9 73.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.226 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.86 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.576 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.08 62.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.175 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.59 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.718 HD12 HG12 ' A' ' 78' ' ' VAL . 4.8 tp -54.87 -61.4 2.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.499 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.23 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.022 -174.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.25 -23.34 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.559 ' HB2' HG21 ' A' ' 78' ' ' VAL . 22.2 mmt -113.86 -24.46 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.0 t30 -66.01 124.76 23.42 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.125 -0.359 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.79 10.09 84.63 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.101 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 76' ' ' VAL . 19.0 ttt180 -80.51 135.13 36.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -89.45 118.51 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.141 0.496 . . . . 0.0 109.95 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 72' ' ' MET . 65.7 mt -126.47 125.51 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.067 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG2' HG22 ' A' ' 71' ' ' ILE . 26.5 mmt 66.71 -77.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 110.932 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.26 22.51 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.087 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.946 ' HD2' ' HB2' ' A' ' 15' ' ' SER . 59.6 mttm -139.37 155.27 47.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.764 0.316 . . . . 0.0 110.986 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.66 109.99 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.472 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . 17.0 m -79.02 163.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 111.475 -174.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 21.6 mmmt -136.12 116.99 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.166 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.718 HG12 HD12 ' A' ' 63' ' ' LEU . 43.9 t -102.04 111.75 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.952 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -113.84 166.78 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.79 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -84.07 116.11 22.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.341 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -100.51 104.49 15.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.815 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -54.36 130.96 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.522 0.514 . . . . 0.0 111.163 -174.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -102.07 107.11 51.36 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.41 124.35 6.43 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.689 2.259 . . . . 0.0 111.784 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 p -73.72 -26.18 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.62 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 t -168.59 175.78 6.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.795 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 61.79 90.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 112.19 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -113.16 119.57 38.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.67 -12.48 21.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 0.0 109.925 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.54 130.29 40.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.333 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -65.88 -32.1 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.642 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.847 175.096 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.2 mp0 -62.25 -21.22 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.696 0.76 . . . . 0.0 109.104 174.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -21.78 66.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.77 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -96.64 -41.52 8.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -124.27 84.12 56.24 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.5 0.666 . . . . 0.0 110.459 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.703 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 66.1 Cg_endo -76.9 -44.81 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.941 2.427 . . . . 0.0 114.792 -172.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 42.0 ttmt 79.72 -26.12 0.17 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 110.873 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -80.05 137.48 36.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.63 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.2 mm? -105.07 139.09 40.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.229 0.538 . . . . 0.0 110.849 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.753 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 84.4 t80 -104.9 100.7 10.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.512 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.682 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.5 t -100.15 113.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 179.01 19.94 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.35 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.617 ' HA ' ' OD1' ' A' ' 46' ' ' ASP . 9.5 m120 67.74 47.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.478 0.711 . . . . 0.0 111.232 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 49' ' ' CYS . 48.6 mt -83.84 149.7 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.232 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -124.38 170.63 10.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -71.26 -12.42 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.432 0.634 . . . . 0.0 109.627 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -81.24 -14.43 57.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.055 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.425 HG11 HD22 ' A' ' 14' ' ' LEU . 58.3 t -93.02 122.65 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -100.74 144.44 29.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.858 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG3' HD23 ' A' ' 24' ' ' LEU . 5.3 tp10 -55.38 -40.72 71.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.905 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.74 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.1 tp -75.8 -50.36 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -57.0 -50.45 76.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.777 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD23 ' HG3' ' A' ' 20' ' ' GLU . 3.2 mm? -53.85 -49.11 69.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.899 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.32 -42.52 99.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.822 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 36.7 mt -59.24 -49.62 77.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.86 0.362 . . . . 0.0 111.381 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 83.9 m-85 -74.83 -30.51 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.598 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -63.85 -29.15 70.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 110.599 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 60.3 tp60 -66.59 -32.95 74.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' HA ' ' A' ' 62' ' ' ALA . 38.2 mm -86.1 -52.95 11.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.9 169.45 28.0 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.585 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.08 112.35 3.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.031 2.488 . . . . 0.0 111.402 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 p -79.46 127.31 31.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.75 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 38.2 ttpt -82.16 -34.51 29.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.935 -177.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -171.86 147.75 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.414 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.1 m -136.93 132.12 33.99 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.718 ' HE3' HD11 ' A' ' 39' ' ' ILE . 37.5 ttpt -131.1 145.96 52.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -109.98 126.02 53.49 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.695 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.718 HD11 ' HE3' ' A' ' 37' ' ' LYS . 23.7 mm -117.68 102.81 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.893 0.378 . . . . 0.0 110.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.46 124.47 52.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -84.06 -164.84 1.0 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 14.5 p -70.25 9.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -173.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 42' ' ' THR . . . 78.24 145.6 0.09 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.579 0.752 . . . . 0.0 110.62 -177.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.77 44.25 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -172.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -110.54 151.15 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.617 ' OD1' ' HA ' ' A' ' 13' ' ' ASN . 36.9 t70 -71.44 119.96 76.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.241 -171.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.494 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 4.5 Cg_exo -76.3 146.22 27.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.0 111.771 175.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.04 161.56 38.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.13 0.49 . . . . 0.0 111.472 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.573 ' HB2' HD11 ' A' ' 14' ' ' LEU . 40.7 t -124.61 138.76 54.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.418 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -103.62 111.93 24.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.155 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 9' ' ' LEU . 13.4 m -110.08 117.92 55.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.533 0.683 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.541 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 3.7 mm-40 -96.9 137.97 35.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.16 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 64.1 m-85 -114.79 167.54 10.68 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -86.01 -37.62 18.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.69 136.0 45.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.673 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 17.3 t60 -76.7 -30.56 56.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.666 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.06 -40.62 82.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 111.654 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -72.6 -18.46 61.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.116 0.484 . . . . 0.0 110.186 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.02 -34.56 78.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.23 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.22 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.9 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.59 84.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.505 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HA ' HG13 ' A' ' 30' ' ' ILE . . . -66.3 -37.98 86.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.394 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.817 HD12 HG12 ' A' ' 78' ' ' VAL . 5.5 tp -54.28 -61.4 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.474 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 -22.54 65.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.813 -172.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.32 -15.39 29.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.521 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.44 -35.47 5.26 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.342 -173.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.683 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 36.5 p30 -70.68 146.95 49.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 111.665 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.47 9.64 84.55 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.263 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' O ' HG22 ' A' ' 76' ' ' VAL . 33.5 ttt180 -94.85 132.28 39.83 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -91.64 118.12 30.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.042 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.699 HG22 ' HG2' ' A' ' 72' ' ' MET . 68.4 mt -126.83 125.98 67.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.699 ' HG2' HG22 ' A' ' 71' ' ' ILE . 24.5 mmt 72.99 -50.45 0.71 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 111.288 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.01 26.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -142.22 139.94 32.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 110.25 18.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 69' ' ' ARG . 19.2 m -76.0 160.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.309 0.576 . . . . 0.0 111.931 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 mmtt -127.79 132.82 49.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.206 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.817 HG12 HD12 ' A' ' 63' ' ' LEU . 20.8 t -129.22 104.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -118.38 177.2 4.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.499 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -89.96 115.43 27.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.824 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.753 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -88.25 100.08 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.703 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 25.5 p -87.01 -162.95 0.84 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.265 0.555 . . . . 0.0 111.719 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 p -59.58 147.17 78.22 Favored Pre-proline 0 N--CA 1.447 -0.58 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.357 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.07 131.01 29.04 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.504 2.136 . . . . 0.0 112.012 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.658 ' HA ' ' HG3' ' A' ' 88' ' ' LYS . 51.0 m 63.01 48.41 3.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.536 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.6 p -107.33 -67.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -90.5 25.37 2.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.169 0.509 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.658 ' HG3' ' HA ' ' A' ' 85' ' ' SER . 30.5 mmmt -70.73 124.38 24.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.67 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -119.37 45.71 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 -177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.63 101.59 9.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.599 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -72.19 93.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.638 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.338 178.146 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.71 -27.26 60.31 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-O 121.426 0.631 . . . . 0.0 110.079 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.56 -23.27 67.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.601 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -86.76 -22.78 25.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.187 0.518 . . . . 0.0 110.581 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.2 mmt -121.33 72.83 27.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.96 -53.94 6.13 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.265 2.643 . . . . 0.0 113.07 -173.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 73.66 -45.91 0.62 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.778 0.674 . . . . 0.0 111.297 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.504 HG23 ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -85.96 131.04 34.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 178.307 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.625 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -97.65 129.85 44.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 0.0 110.635 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 51.4 t80 -99.22 104.01 15.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.542 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 14.3 t -119.09 119.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.8 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.47 122.56 6.13 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.432 -0.889 . . . . 0.0 111.563 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 3.6 p-10 175.71 5.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 81.9 mt -66.11 142.47 57.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 0.0 111.383 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.497 ' OG ' HG23 ' A' ' 18' ' ' VAL . 90.1 p -129.25 -179.18 4.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.164 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 3.2 ppt_? -71.95 -12.85 61.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 110.668 175.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -91.2 -37.72 13.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG23 ' OG ' ' A' ' 15' ' ' SER . 93.7 t -61.19 138.65 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -121.11 154.43 36.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.47 -44.44 80.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.971 0.415 . . . . 0.0 110.685 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.12 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.977 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.3 tp -82.83 -52.86 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 0.0 110.114 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -53.59 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.12 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.8 -32.29 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.318 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -69.95 -45.32 67.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 38.0 mt -63.29 -37.46 87.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.985 -178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 65.9 m-85 -81.64 -29.3 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.218 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 t -65.63 -23.45 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 0.0 110.057 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.21 -31.66 71.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.064 174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.17 -52.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.3 158.99 27.9 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.117 -1.04 . . . . 0.0 113.152 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -70.6 129.51 16.83 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.851 2.367 . . . . 0.0 111.744 177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.73 133.52 34.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.431 ' HD3' ' HE2' ' A' ' 54' ' ' HIS . 26.8 tptp -88.87 -44.11 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.634 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -163.09 146.0 10.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.941 176.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.9 m -135.6 138.4 42.9 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.091 0.472 . . . . 0.0 110.549 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -124.11 147.8 47.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.125 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -132.47 107.89 8.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.527 0.68 . . . . 0.0 109.908 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.1 mm -79.53 85.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.805 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.9 mtp -79.86 83.56 5.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.192 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -109.6 130.71 55.49 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -100.83 7.71 43.58 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.985 -170.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.57 58.6 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.08 -59.12 4.31 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.71 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -69.38 156.16 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 -174.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.2 m-20 -71.6 131.3 86.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.581 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.755 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 33.1 Cg_exo -62.13 148.68 92.75 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.999 2.466 . . . . 0.0 112.239 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -127.96 155.16 44.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.544 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -119.97 140.75 50.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.792 -175.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.428 ' CE1' ' HD2' ' A' ' 10' ' ' TYR . 73.9 m-85 -107.64 106.33 16.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.109 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.623 HG23 ' HB2' ' A' ' 9' ' ' LEU . 12.4 m -106.91 121.45 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.902 0.382 . . . . 0.0 110.37 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HB2' HG23 ' A' ' 8' ' ' THR . 31.3 tt0 -119.66 122.94 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.126 0.489 . . . . 0.0 110.331 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 61.3 m-85 -94.69 171.8 8.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.056 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.431 ' HE2' ' HD3' ' A' ' 34' ' ' LYS . 39.4 m80 -74.57 -32.53 62.43 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.654 0.74 . . . . 0.0 109.537 173.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' OE1' ' HB3' ' A' ' 57' ' ' ARG . 1.8 tm-20 -118.1 120.24 37.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.911 -166.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -69.85 -33.77 72.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.368 -173.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.449 ' HB3' ' OE1' ' A' ' 55' ' ' GLU . 14.4 ttm180 -70.39 -23.65 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.282 0.563 . . . . 0.0 110.601 -175.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -81.82 -31.04 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.374 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.625 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.41 -32.11 72.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.54 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.495 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -62.18 -50.05 73.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.744 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.03 87.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.16 85.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HA ' HG11 ' A' ' 78' ' ' VAL . 8.1 tt -65.39 -49.81 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.6 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.061 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.36 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 91.4 mmm -86.71 -26.65 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -65.01 123.47 19.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.149 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.01 66.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.666 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' ' 76' ' ' VAL . 14.1 ttt180 -83.2 148.61 27.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.854 0.359 . . . . 0.0 110.175 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -101.56 118.51 37.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.64 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.1 mt -136.02 126.16 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.161 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.4 mmm 62.49 25.72 15.32 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.756 0.422 . . . . 0.0 111.423 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.8 1.17 77.33 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.966 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -100.89 136.08 41.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.671 0.388 . . . . 0.0 110.18 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.88 112.6 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.222 0.534 . . . . 0.0 110.207 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 4.0 m -83.12 145.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.193 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.1 mttp -129.21 124.1 33.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.718 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 11' ' ' VAL . 20.7 t -112.44 113.7 44.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.819 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -120.41 158.33 27.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.681 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.8 m95 -74.59 117.49 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -79.55 90.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -142.85 140.41 31.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.21 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.9 m -118.68 104.98 46.47 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.18 133.29 54.83 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.616 2.211 . . . . 0.0 112.096 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.2 t -72.74 -20.94 61.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.481 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.9 m -76.27 72.18 3.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.227 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -102.97 107.21 17.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.59 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.99 132.71 35.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.56 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -77.14 91.54 3.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.692 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 64.64 89.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.842 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 92' ' ' SER . 6.5 t -70.5 -42.55 71.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 91' ' ' THR . 18.7 t . . . . . 0 C--O 1.25 1.086 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.31 -37.02 26.38 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.306 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' HG22 ' A' ' 83' ' ' THR . 18.9 t70 -64.87 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.029 0.442 . . . . 0.0 111.565 -173.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.7 -22.27 66.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.397 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -131.75 80.74 65.25 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.135 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.706 ' HB2' ' HE3' ' A' ' 80' ' ' TRP . 99.8 Cg_exo -42.07 -48.7 6.2 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 114.439 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.9 tttt 74.68 -46.58 0.61 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.779 0.674 . . . . 0.0 111.776 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -88.7 139.71 30.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.867 HD12 HD23 ' A' ' 63' ' ' LEU . 2.7 mm? -100.71 133.38 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.886 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 59.3 t80 -96.18 113.81 25.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.826 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.793 HG22 HG22 ' A' ' 78' ' ' VAL . 86.1 t -106.22 121.19 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.905 0.383 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.18 167.48 12.95 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.924 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 95.1 m-20 71.53 59.77 0.16 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.984 0.461 . . . . 0.0 111.125 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 23.0 mt -84.45 142.82 29.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.444 0.64 . . . . 0.0 110.089 172.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -118.88 161.05 20.82 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.905 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' CD ' ' H ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -59.39 -30.68 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 110.15 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.92 14.26 2.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.609 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.01 108.75 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.132 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 22' ' ' LEU . 3.7 t -84.06 144.18 29.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.158 173.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.19 -32.63 73.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.454 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.46 97.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.502 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 26' ' ' LEU . 55.2 tp -68.48 -51.06 47.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.645 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -57.25 -48.58 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.182 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.4 mm? -66.11 -28.8 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.538 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.57 -45.98 77.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 109.847 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -54.72 -41.61 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 64.7 m-85 -80.95 -37.05 30.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.482 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.95 -27.4 69.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.345 . . . . 0.0 110.859 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.73 -22.03 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.364 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.43 -50.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 58' ' ' HIS . . . -154.03 165.4 31.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.57 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.12 118.94 5.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.043 2.495 . . . . 0.0 112.006 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.15 142.94 32.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.364 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 52' ' ' GLU . 38.2 tttm -91.59 -52.75 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.502 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -165.36 151.4 9.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.286 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.4 p -127.34 124.71 39.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -106.95 130.61 54.58 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.0 mmm -110.13 99.2 8.31 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.026 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -85.79 84.19 2.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.2 mtm -100.86 83.47 2.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.767 0.794 . . . . 0.0 110.039 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -133.52 111.33 10.61 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.547 -1.206 . . . . 0.0 108.706 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 t -100.08 1.22 42.09 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.32 0.581 . . . . 0.0 110.896 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -32.0 14.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.422 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.15 -61.66 2.33 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.323 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -159.65 -164.38 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.94 120.81 78.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.653 0.264 . . . . 0.0 110.494 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.612 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 47.2 Cg_exo -56.38 147.72 66.17 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.357 2.705 . . . . 0.0 113.12 -176.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -144.69 179.9 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.785 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.603 ' HB2' HD11 ' A' ' 14' ' ' LEU . 50.6 t -145.18 148.69 33.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.407 ' HD2' HD11 ' A' ' 39' ' ' ILE . 58.4 m-85 -120.48 114.6 22.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.181 176.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 127.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.064 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 34' ' ' LYS . 43.4 mt-10 -106.21 139.8 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 27.8 m-85 -108.92 155.47 20.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.907 174.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -84.65 -7.29 59.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.357 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -136.68 122.39 19.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.186 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -62.9 -33.61 75.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.438 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -66.49 -36.46 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' HB3' ' HA3' ' A' ' 31' ' ' GLY . 11.3 m170 -79.45 -27.93 41.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.3 -37.94 89.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.103 174.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . . . -64.84 -41.96 95.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.343 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.03 84.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.24 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.867 HD23 HD12 ' A' ' 9' ' ' LEU . 2.6 tm? -52.13 -56.81 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.845 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -23.45 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -173.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.15 -29.0 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.432 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -93.09 -40.03 10.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.622 0.249 . . . . 0.0 110.45 -175.332 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.481 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.4 t30 -63.36 125.83 25.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 -176.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.99 4.38 75.08 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.887 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 76' ' ' VAL . 52.2 ttt180 -91.23 141.23 29.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.835 0.35 . . . . 0.0 110.222 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.49 120.41 25.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 111.261 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -137.37 109.45 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.272 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 mmt 68.7 48.1 0.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.964 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.11 99.73 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.058 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -157.8 156.27 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.064 0.432 . . . . 0.0 110.095 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.9 113.63 25.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 69' ' ' ARG . 17.2 m -77.92 161.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.716 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttm -128.73 120.79 27.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.793 HG22 HG22 ' A' ' 11' ' ' VAL . 41.4 t -129.99 108.49 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.727 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.634 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 33.1 p30 -126.94 173.43 9.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.605 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.706 ' HE3' ' HB2' ' A' ' 6' ' ' PRO . 89.1 m95 -79.31 110.35 14.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.082 0.468 . . . . 0.0 110.655 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.886 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -87.0 108.24 18.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.858 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 p -77.61 -162.47 0.31 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.6 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.4 t -68.12 137.26 91.83 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 22.5 Cg_exo -66.89 69.92 0.52 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 123.094 2.529 . . . . 0.0 112.474 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -79.3 74.46 5.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.997 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.606 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . 22.0 t 70.42 3.0 4.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.338 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -88.3 90.95 8.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.722 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 60.47 76.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -114.08 171.2 7.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.769 173.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.93 69.96 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 0.0 110.414 -174.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.7 m -98.84 93.69 6.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.033 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.243 0.744 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.497 173.657 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.82 -23.68 64.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.706 0.765 . . . . 0.0 109.17 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -74.71 -23.45 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.397 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -83.9 -30.66 26.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.99 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.6 mtt -124.58 85.26 56.56 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.142 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' A' ' 80' ' ' TRP . 83.0 Cg_exo -46.68 -41.73 24.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.855 3.036 . . . . 0.0 113.902 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 75.54 -47.25 0.59 Allowed 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.713 0.633 . . . . 0.0 111.975 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -90.77 140.88 29.37 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.632 HD12 HD23 ' A' ' 63' ' ' LEU . 2.9 mm? -98.29 131.6 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.825 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 70.1 t80 -99.92 101.24 12.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.505 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.722 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 98.3 t -105.55 112.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -113.44 -175.98 19.28 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.644 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.37 43.21 2.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 110.915 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 57.9 mt -72.96 147.25 45.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.273 0.558 . . . . 0.0 110.366 175.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.749 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.7 t -110.23 155.75 21.59 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.04 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 10.3 mpt_? -71.95 -9.5 58.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.639 -177.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.05 -4.86 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.913 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.749 HG23 ' HB3' ' A' ' 15' ' ' SER . 80.0 t -84.7 125.24 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.8 t -100.13 147.59 25.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.904 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HG2' HD23 ' A' ' 24' ' ' LEU . 29.4 tt0 -62.46 -40.77 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.29 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.899 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' H ' HG23 ' A' ' 19' ' ' THR . 52.5 tp -67.98 -48.99 64.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.733 -176.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.73 -51.16 73.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.254 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -64.64 -33.97 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.473 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.65 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.68 -36.2 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 52.3 m-85 -76.59 -37.66 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.79 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t -62.72 -25.72 68.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -66.18 -26.94 67.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.751 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.9 mm -94.08 -48.92 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -154.56 179.51 30.63 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.377 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -87.0 124.85 2.19 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.964 2.443 . . . . 0.0 112.159 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.34 123.18 47.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.582 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 pttp -77.92 -27.32 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.016 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 34' ' ' LYS . 3.8 p-10 -169.71 155.11 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.035 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HB3' HD11 ' A' ' 24' ' ' LEU . 30.3 p -128.57 149.67 50.52 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -128.27 106.94 9.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.219 0.533 . . . . 0.0 109.889 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.5 ttp -103.73 108.18 19.37 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.877 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG13 ' CE2' ' A' ' 48' ' ' TYR . 32.4 mm -80.13 90.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.272 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtm -67.27 120.75 14.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.712 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.53 124.23 22.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.432 0.634 . . . . 0.0 111.832 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -102.51 -5.09 24.39 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.049 -175.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.17 -51.7 1.03 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.97 42.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -110.13 -170.04 1.57 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.6 t70 -83.18 115.47 59.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.657 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.1 Cg_exo -79.69 130.54 8.8 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.828 2.352 . . . . 0.0 112.145 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 18.6 p90 -139.16 161.01 38.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.028 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB2' HD11 ' A' ' 14' ' ' LEU . 49.5 t -135.73 135.22 39.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.44 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -98.59 121.13 40.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.339 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 9' ' ' LEU . 12.6 m -113.49 120.7 64.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 175.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -107.27 114.7 28.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 62.5 m-85 -92.26 -172.06 3.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.538 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.582 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 71.8 m80 -106.82 -45.03 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.005 0.431 . . . . 0.0 110.196 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -100.68 120.75 40.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.219 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.31 -29.83 64.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.715 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.63 -22.03 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -80.63 -33.82 35.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.28 90.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.341 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.008 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.84 -38.48 79.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.899 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -36.86 76.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.801 HD22 HG12 ' A' ' 78' ' ' VAL . 2.1 tm? -53.94 -60.43 3.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.469 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.86 62.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.4 -35.63 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.704 0.288 . . . . 0.0 111.626 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 11.9 tpt -92.03 -29.15 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.532 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.7 t30 -67.25 123.7 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.7 10.3 67.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -93.96 128.27 40.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 1.9 ttmp? -94.5 107.11 19.09 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.664 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.412 HG22 ' HG2' ' A' ' 72' ' ' MET . 2.6 mp -100.94 123.04 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.581 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.412 ' HG2' HG22 ' A' ' 71' ' ' ILE . 96.9 mmm 69.46 -64.35 0.34 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.027 0.829 . . . . 0.0 112.021 177.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.64 53.08 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HZ2' ' HB2' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -157.57 142.16 16.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.04 110.0 15.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.29 168.55 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.149 0.5 . . . . 0.0 111.606 -175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.722 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 52.6 mtmt -131.01 124.93 31.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.456 174.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.801 HG12 HD22 ' A' ' 63' ' ' LEU . 50.3 t -129.05 104.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.001 0.429 . . . . 0.0 109.846 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -125.88 173.73 8.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.4 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.534 ' HB3' ' HG2' ' A' ' 6' ' ' PRO . 86.3 m95 -82.9 120.1 25.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.633 0.254 . . . . 0.0 110.854 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -97.99 100.55 11.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.917 0.389 . . . . 0.0 109.999 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 p -73.87 127.09 31.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.239 0.542 . . . . 0.0 111.765 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.2 t -118.53 103.64 48.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 121.662 0.744 . . . . 0.0 109.12 171.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 16.6 Cg_exo -68.52 -16.28 42.66 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.768 2.312 . . . . 0.0 112.968 -173.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 m 57.4 26.07 12.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.362 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 m -78.6 -7.34 57.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.02 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -154.43 126.23 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.611 0.244 . . . . 0.0 110.614 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -151.12 -1.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.759 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -76.53 83.21 3.22 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.268 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -116.78 113.81 23.08 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -61.29 115.7 4.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.416 -173.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.875 178.217 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.63 ' HB3' ' HB ' ' A' ' 83' ' ' THR . 2.1 mp0 -68.97 -42.95 75.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.818 -175.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' HA ' HG22 ' A' ' 82' ' ' THR . 7.0 p-10 -87.98 -17.93 30.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.176 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.932 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.2 mtt -121.39 84.21 41.19 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.485 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 11.1 Cg_endo -58.39 103.11 0.15 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.375 2.05 . . . . 0.0 111.46 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -88.38 -3.56 58.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.109 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.8 m -107.64 137.3 45.9 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.27 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.6 mm? -104.54 131.95 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.841 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.1 t80 -93.24 100.31 12.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.871 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 78' ' ' VAL . 50.2 t -102.46 114.63 42.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.834 0.349 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -103.2 175.43 23.84 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.472 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.751 ' HA ' ' OD1' ' A' ' 46' ' ' ASP . 6.1 m-20 72.73 59.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.165 0.507 . . . . 0.0 111.289 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 49' ' ' CYS . 61.3 mt -86.66 178.72 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.321 0.581 . . . . 0.0 110.973 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.837 ' HB3' HG23 ' A' ' 18' ' ' VAL . 30.7 t -149.3 160.03 43.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.95 -9.82 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.174 0.511 . . . . 0.0 109.724 175.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -98.56 2.21 47.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.663 0.744 . . . . 0.0 109.898 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.837 HG23 ' HB3' ' A' ' 15' ' ' SER . 82.1 t -104.15 110.95 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.393 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -91.28 147.24 23.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 33.5 tt0 -59.83 -35.83 75.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.366 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.06 73.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.047 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.1 tp -74.9 -53.28 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -53.79 -52.78 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -63.51 -41.0 98.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.426 -177.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -64.1 -40.49 96.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.624 0.25 . . . . 0.0 110.675 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 39.3 mt -60.83 -45.0 96.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.62 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 54.3 m-85 -71.31 -30.48 66.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -64.33 -29.96 71.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.545 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 -26.57 65.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.91 -53.39 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.423 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.93 157.33 27.22 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.427 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.62 116.05 3.08 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.566 2.177 . . . . 0.0 111.709 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.2 m -84.35 145.02 28.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -112.83 -39.66 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.662 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . 59.9 t30 -146.29 151.64 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.613 0.244 . . . . 0.0 110.421 -176.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.574 ' HB3' HD11 ' A' ' 24' ' ' LEU . 23.8 p -141.46 130.43 23.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -141.28 112.91 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.514 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 15.1 ptp -85.72 142.59 28.89 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 171.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -113.47 129.78 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.341 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.4 ptm -101.55 131.11 47.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -128.17 129.8 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.077 0.465 . . . . 0.0 110.956 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.1 t -101.33 6.05 42.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.38 -174.27 4.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.929 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.42 46.39 3.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.486 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.91 160.15 40.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.751 ' OD1' ' HA ' ' A' ' 13' ' ' ASN . 10.0 t70 -93.47 132.54 30.01 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.15 149.93 51.24 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 113.854 -173.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -132.25 165.84 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.705 ' HB2' HD11 ' A' ' 14' ' ' LEU . 47.7 t -136.71 146.15 45.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.913 0.387 . . . . 0.0 110.993 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.82 116.14 31.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.239 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.4 m -114.39 121.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.429 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.0 tt0 -105.23 133.01 50.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.717 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 10.5 m-85 -102.46 157.63 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -80.21 -31.83 38.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 170.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 2.3 tm-20 -115.47 111.47 20.81 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.359 -170.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -71.31 -34.25 70.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.757 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 12.2 tpt180 -64.12 -34.38 77.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.468 . . . . 0.0 110.502 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -77.14 -28.02 54.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.346 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.709 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -63.58 -29.53 70.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.381 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.67 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.772 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.44 96.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.96 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.596 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -55.59 -54.47 43.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.339 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.95 75.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.1 -40.29 31.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -86.69 -20.25 28.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.02 115.98 8.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.427 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 10.13 58.65 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.529 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -72.88 155.39 39.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -105.88 101.16 10.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.507 HD12 HG11 ' A' ' 76' ' ' VAL . 73.1 mt -118.86 116.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.2 mmt 59.62 34.82 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.816 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.19 84.81 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.819 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -123.48 137.96 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.02 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.133 0.492 . . . . 0.0 110.516 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.507 HG11 HD12 ' A' ' 71' ' ' ILE . 17.4 m -78.99 151.04 5.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.74 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -131.05 121.62 25.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.545 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 11' ' ' VAL . 21.3 t -112.91 129.27 68.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.577 -174.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -134.36 163.08 30.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.505 ' CE2' ' HG ' ' A' ' 63' ' ' LEU . 94.3 m95 -72.67 108.5 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.277 . . . . 0.0 110.848 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -89.85 98.51 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 0.0 110.316 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -68.73 154.2 42.39 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 178.009 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.63 ' HB ' ' HB3' ' A' ' 2' ' ' GLU . 9.8 m -107.64 105.52 56.26 Favored Pre-proline 0 N--CA 1.441 -0.877 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.961 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.534 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 8.2 Cg_exo -73.16 72.95 3.3 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.127 2.552 . . . . 0.0 111.276 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 t 68.12 -78.08 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.362 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -146.47 10.11 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.673 0.273 . . . . 0.0 110.473 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.534 ' HG2' ' HD2' ' A' ' 84' ' ' PRO . 73.9 mt-30 65.98 178.72 0.21 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.953 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -122.8 75.13 1.25 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -75.83 59.94 1.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.375 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.5 -22.66 28.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.8 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -81.04 -32.17 34.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.311 -179.531 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.303 0.573 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.634 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -76.4 -21.29 56.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.94 177.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.443 ' HA ' ' HB ' ' A' ' 82' ' ' THR . 31.2 t70 -77.96 -19.0 55.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.791 173.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -85.86 -45.32 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.144 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.3 mtp -120.09 84.84 34.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.09 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.785 ' HG3' ' HB3' ' A' ' 80' ' ' TRP . 29.0 Cg_endo -63.11 -47.25 8.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 113.616 -175.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 48.7 mtpt 73.17 -44.29 0.59 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.392 0.677 . . . . 0.0 111.826 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 m -80.15 125.89 30.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.596 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.662 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.4 mm? -92.33 132.53 36.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.976 0.417 . . . . 0.0 110.191 176.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.635 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 33.2 t80 -99.48 109.31 21.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.716 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 46.2 t -111.02 122.07 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.76 178.42 16.94 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.714 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 46' ' ' ASP . 93.9 m-20 70.92 30.15 2.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.171 0.589 . . . . 0.0 111.545 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.6 mm? -70.55 167.8 17.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.688 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' A' ' 74' ' ' LYS . 49.9 m -147.48 150.65 34.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -6.92 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.6 -24.06 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.209 172.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.71 125.44 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.182 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 t -84.82 143.57 29.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.548 0.689 . . . . 0.0 110.553 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.08 -24.87 65.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.348 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.62 94.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.211 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 59.4 tp -69.79 -50.74 40.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.45 -52.65 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.042 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 28' ' ' SER . 4.3 mm? -61.09 -41.67 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.75 -45.44 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.161 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 32.9 mt -57.58 -37.71 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.821 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' HZ ' HG21 ' A' ' 11' ' ' VAL . 36.8 m-85 -85.61 -27.52 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.949 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.5 t -67.3 -33.79 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -177.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -70.73 -19.3 62.75 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.133 0.492 . . . . 0.0 110.652 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.6 mm -89.26 -45.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.711 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 58' ' ' HIS . . . -168.79 163.98 37.66 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.787 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.83 113.82 2.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.45 2.1 . . . . 0.0 112.035 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.32 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.141 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.659 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 20.8 tptp -88.16 -32.14 18.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.77 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 95.9 m-20 -127.49 137.89 52.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.876 0.369 . . . . 0.0 110.689 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' HB3' HD11 ' A' ' 24' ' ' LEU . 4.2 p -125.33 105.02 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.98 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.725 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.3 mmtp -102.9 107.15 17.88 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.232 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 ttp -107.57 99.29 8.8 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mm -85.62 86.71 2.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.231 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.9 ptm -99.12 133.62 43.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.43 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.12 170.16 16.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -92.58 -8.8 43.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.162 0.506 . . . . 0.0 110.432 -175.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -138.46 155.35 48.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.374 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.57 -143.34 14.5 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 8.9 m120 -107.48 -88.79 0.46 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.59 0.71 . . . . 0.0 110.072 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 13' ' ' ASN . 3.3 m-20 -133.92 137.98 29.71 Favored Pre-proline 0 C--N 1.312 -1.034 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.864 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.81 150.22 23.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.111 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' HA ' HD23 ' A' ' 14' ' ' LEU . 15.8 p90 -139.63 161.63 37.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 49.9 t -128.9 136.6 50.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.059 0.457 . . . . 0.0 111.512 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.725 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.1 m-85 -107.73 122.5 46.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.049 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.4 122.83 70.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.898 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -87.44 115.11 24.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 177.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.509 ' CE2' HD23 ' A' ' 9' ' ' LEU . 21.5 m-85 -98.48 130.77 45.08 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.659 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 55.0 m80 -60.76 -31.6 70.93 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.328 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.81 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.541 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -77.73 -27.65 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.818 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -47.35 80.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.71 0.29 . . . . 0.0 111.465 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.58 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 3.3 p-80 -76.9 -9.7 58.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.112 0.482 . . . . 0.0 110.403 -176.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.662 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.16 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.353 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.67 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.549 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.67 84.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.877 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.69 -36.46 62.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.606 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.617 HD12 HG12 ' A' ' 78' ' ' VAL . 7.6 tp -56.19 -57.7 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.058 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.08 -15.2 62.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.155 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.3 6.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.756 0.312 . . . . 0.0 111.481 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -88.49 -23.58 23.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' HA ' HG23 ' A' ' 78' ' ' VAL . 55.6 t30 -62.16 120.96 11.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.75 10.89 75.23 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.013 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 76' ' ' VAL . 65.0 ttt180 -88.22 140.61 29.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.051 0.453 . . . . 0.0 110.599 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.0 110.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.502 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.55 HG22 ' HG2' ' A' ' 72' ' ' MET . 65.6 mt -120.71 123.92 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.672 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.55 ' HG2' HG22 ' A' ' 71' ' ' ILE . 23.6 mmt 68.41 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.255 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.05 20.13 0.75 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HG3' ' OG ' ' A' ' 15' ' ' SER . 4.5 mmmp? -141.4 158.31 44.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.262 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -94.19 120.2 34.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.333 173.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 71' ' ' ILE . 23.0 m -85.62 152.63 3.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.023 0.439 . . . . 0.0 110.53 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.3 mttm -130.27 128.53 41.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.964 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.617 HG12 HD12 ' A' ' 63' ' ' LEU . 10.3 t -117.33 123.31 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.43 -177.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -132.02 165.26 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.507 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.785 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 42.8 m0 -80.56 112.61 18.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.424 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -76.02 92.1 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.514 0.674 . . . . 0.0 109.694 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 3' ' ' ASP . 17.3 p -98.17 143.63 28.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.726 -176.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.0 m -96.49 105.14 20.73 Favored Pre-proline 0 N--CA 1.443 -0.778 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.04 81.75 1.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.088 2.525 . . . . 0.0 112.253 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -81.16 67.98 7.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 109.807 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 p -84.65 27.12 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.982 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -87.04 55.73 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.383 0.611 . . . . 0.0 110.352 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -166.8 89.47 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.9 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -84.17 66.35 9.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.065 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -110.95 83.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 171.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.7 t -108.25 137.06 46.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.017 -173.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.322 177.813 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.468 -0.197 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 85' ' ' SER . 39.8 mt-10 -74.38 -24.12 59.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.683 0.754 . . . . 0.0 109.987 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -79.86 0.01 32.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.25 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -116.78 -8.5 11.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.006 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.1 mtt -121.7 85.07 43.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 46.3 Cg_endo -71.92 90.6 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.065 1.843 . . . . 0.0 111.122 169.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -89.21 -7.65 55.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.635 0.731 . . . . 0.0 109.864 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -121.95 134.24 54.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.531 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 63' ' ' LEU . 3.0 mm? -100.14 139.79 35.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.86 0.362 . . . . 0.0 110.492 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.697 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 33.1 t80 -103.44 105.64 15.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.793 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.74 HG22 HG22 ' A' ' 78' ' ' VAL . 60.7 t -105.18 112.74 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.96 170.61 20.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.426 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 73.03 40.53 0.55 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.402 0.681 . . . . 0.0 111.645 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 49' ' ' CYS . 57.9 mt -79.62 145.65 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.14 0.495 . . . . 0.0 109.921 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' VAL . 48.2 t -94.7 167.7 11.29 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.443 176.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.667 ' NH1' ' HA ' ' A' ' 16' ' ' ARG . 7.2 mmm180 -80.5 -6.74 58.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.517 0.675 . . . . 0.0 109.339 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.76 -1.26 46.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.425 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 15' ' ' SER . 88.3 t -85.33 126.74 40.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -98.15 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.934 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.56 -41.32 84.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.056 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.95 69.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.875 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.7 tt -69.68 -49.87 49.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.921 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.43 HD11 HG11 ' A' ' 18' ' ' VAL . 51.4 mm -54.27 -58.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.737 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 36' ' ' CYS . 6.6 tp -56.89 -42.34 79.68 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.626 -174.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.27 -42.49 96.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.142 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 22.2 mt -60.82 -38.41 85.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.576 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 80.6 m-85 -82.87 -32.98 27.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.2 m -65.28 -22.4 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -60.62 -34.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.178 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.2 mm -92.87 -53.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.911 -176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.29 160.39 28.17 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.943 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.2 112.34 2.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.944 2.43 . . . . 0.0 111.74 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 m -95.32 140.18 30.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.308 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 52.9 tptt -108.06 -43.68 4.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.368 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -129.03 140.68 51.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.907 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 24' ' ' LEU . 49.2 t -128.26 104.57 7.81 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.239 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 27.1 tttp -93.86 141.39 28.56 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.809 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 84.5 mtp -124.3 104.11 8.61 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.757 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.444 HD11 ' HD3' ' A' ' 37' ' ' LYS . 38.2 mm -86.04 99.04 7.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.277 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -106.32 110.16 22.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.355 0.597 . . . . 0.0 110.412 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.14 -177.69 3.94 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -77.67 -37.6 49.38 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.381 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.65 174.41 0.82 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.302 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.39 -107.66 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -86.47 155.06 20.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 12.1 m-20 -66.2 135.4 94.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 94.0 Cg_exo -47.05 155.05 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.072 3.181 . . . . 0.0 114.206 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 11.3 p90 -130.9 151.49 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.391 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.644 ' HB2' HD11 ' A' ' 14' ' ' LEU . 46.1 t -117.48 143.27 46.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.391 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.592 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 76.5 m-85 -111.17 109.74 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.742 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 m -104.91 125.93 59.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -106.3 123.13 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 15.9 m-85 -96.61 165.36 12.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 34' ' ' LYS . 93.2 m-70 -89.02 -7.78 55.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.214 171.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -143.19 112.31 6.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.649 -169.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.24 -33.4 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.766 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 76.8 mtt180 -70.15 -31.98 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 0.0 110.298 -176.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.85 -34.73 39.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.842 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.81 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.38 -40.37 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.597 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.81 90.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.04 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.34 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.601 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.658 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.825 HD23 HD12 ' A' ' 9' ' ' LEU . 3.2 tm? -54.01 -58.52 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.214 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.7 59.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.98 -35.12 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 26' ' ' LEU . 31.4 tpp -97.08 -24.06 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.59 111.16 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.425 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.99 6.21 30.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.389 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -76.81 157.32 31.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 82.6 tttt -117.48 118.22 31.58 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.912 0.386 . . . . 0.0 110.164 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.466 HG22 ' HG2' ' A' ' 72' ' ' MET . 72.1 mt -126.84 118.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.636 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.466 ' HG2' HG22 ' A' ' 71' ' ' ILE . 22.2 mmt 61.21 35.31 18.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.253 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.02 -18.58 57.17 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.375 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 15' ' ' SER . 29.8 mtpp -110.19 135.14 51.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.019 0.409 . . . . 0.0 111.314 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 54.3 mt-10 -84.88 119.43 25.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.004 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 HD12 ' A' ' 71' ' ' ILE . 19.0 m -76.73 155.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.233 -175.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -130.78 111.29 12.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.74 HG22 HG22 ' A' ' 11' ' ' VAL . 11.7 t -106.32 116.63 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.149 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -125.31 168.31 13.7 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.294 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 6' ' ' PRO . 5.1 m0 -68.31 123.29 20.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -96.68 90.63 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 p -96.74 161.03 14.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.285 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 m -112.24 111.28 52.94 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.55 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.06 95.13 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.12 2.547 . . . . 0.0 112.145 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.583 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 14.9 t -86.11 70.52 10.58 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.76 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -72.03 85.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.649 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.17 -48.56 7.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.677 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' HE2' ' HB3' ' A' ' 88' ' ' LYS . 14.2 ptpt -83.49 69.27 10.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.107 0.955 . . . . 0.0 110.746 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -137.06 -51.09 0.66 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.007 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -110.48 -161.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.734 173.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.9 m 64.7 92.58 0.07 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.109 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.289 -174.483 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -67.2 -30.18 70.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.487 0.66 . . . . 0.0 110.417 178.041 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -75.94 -5.66 47.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.47 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.72 3.91 16.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.184 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 78.3 mtp -131.29 70.93 82.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.736 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 8' ' ' THR . 9.7 Cg_endo -55.87 -55.5 2.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.502 2.135 . . . . 0.0 112.901 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 71.25 -14.94 0.44 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.135 0.574 . . . . 0.0 111.493 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.3 m -109.34 134.01 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.014 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -103.29 134.57 46.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.069 0.462 . . . . 0.0 110.338 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.908 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.6 t80 -95.61 109.42 21.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.693 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.7 t -106.84 124.99 62.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.761 176.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.34 178.7 16.39 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.103 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.588 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 12.5 m120 65.96 34.76 6.89 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.981 0.512 . . . . 0.0 111.027 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -68.1 148.26 51.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.798 ' HB2' HG23 ' A' ' 18' ' ' VAL . 6.2 m -114.18 155.0 26.87 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.537 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.0 mpt_? -75.85 -16.14 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -93.37 4.66 53.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.481 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.798 HG23 ' HB2' ' A' ' 15' ' ' SER . 74.7 t -89.59 129.26 40.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 174.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.573 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.1 t -96.65 148.06 23.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.772 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG2' HD23 ' A' ' 24' ' ' LEU . 31.1 tt0 -58.38 -36.93 74.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.167 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.63 69.79 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 62.2 tp -71.73 -55.53 7.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.46 -47.51 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.909 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 20' ' ' GLU . 3.4 mm? -56.92 -45.81 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.26 -41.25 85.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.138 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 33.9 mt -58.16 -43.77 87.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 75.8 m-85 -82.92 -28.91 29.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.4 t -61.24 -31.18 70.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.111 0.481 . . . . 0.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.37 -28.0 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.613 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.46 -50.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.54 153.24 24.67 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.034 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.73 ' HD2' ' HG3' ' A' ' 55' ' ' GLU . 66.9 Cg_exo -53.37 113.82 1.47 Allowed 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.031 2.487 . . . . 0.0 112.223 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.94 136.05 37.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.775 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -88.87 -49.29 6.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.557 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -164.99 150.36 9.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' A' ' 51' ' ' VAL . 61.7 m -131.17 111.38 11.9 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 13.4 mmmm -97.67 107.0 19.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.371 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -90.05 100.08 12.97 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.47 109.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.258 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.41 128.56 36.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.395 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 43' ' ' ALA . 2.1 p-10 -102.12 -163.72 1.03 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.007 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 p -67.36 1.9 1.98 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' H ' ' CG ' ' A' ' 41' ' ' ASP . . . 75.71 -13.56 0.86 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.122 0.969 . . . . 0.0 111.242 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.56 6.01 18.72 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.606 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -111.27 -140.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 16.8 t70 -118.38 114.92 36.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.423 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.2 Cg_exo -78.84 146.74 21.01 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.252 2.635 . . . . 0.0 111.803 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.0 p90 -137.19 152.11 49.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.006 0.431 . . . . 0.0 111.084 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 46.7 t -125.02 139.21 54.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.013 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.3 m-85 -108.14 106.67 16.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.984 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 9' ' ' LEU . 22.4 m -104.37 124.13 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.164 0.507 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.28 143.45 32.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.358 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 44.6 m-85 -116.73 155.12 29.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -87.48 -8.13 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.73 ' HG3' ' HD2' ' A' ' 32' ' ' PRO . 36.6 mm-40 -118.08 93.53 4.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.673 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -65.35 -29.31 70.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -68.37 -37.4 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.507 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 55' ' ' GLU . 17.3 m80 -84.36 -26.08 28.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -56.53 -38.24 71.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.61 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.31 85.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.945 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 9.2 tt -61.59 -41.58 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.65 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.8 -30.8 17.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -96.72 -25.51 15.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -172.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.563 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.5 t30 -74.4 138.85 43.63 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.472 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.18 85.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.539 ' HA ' ' HE ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -98.13 159.6 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -176.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 28.2 ttpt -97.38 102.24 13.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.55 HD12 HG11 ' A' ' 76' ' ' VAL . 65.5 mt -101.5 120.5 51.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm 68.25 -71.42 0.11 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.956 0.785 . . . . 0.0 110.713 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.5 34.83 0.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' OG ' ' A' ' 15' ' ' SER . 2.1 tppt? -135.79 149.77 49.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -175.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.71 108.63 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.55 HG11 HD12 ' A' ' 71' ' ' ILE . 17.3 m -88.85 168.65 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.491 0.663 . . . . 0.0 112.351 -168.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.707 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 42.9 mmtm -133.58 122.39 23.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.068 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 45.1 t -126.36 98.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -119.03 165.26 14.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.919 -175.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -86.72 112.26 21.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.908 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -91.05 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.984 -175.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.421 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 1.3 p -90.91 171.71 9.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.431 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.8 p -88.04 110.77 38.12 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.846 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 82' ' ' THR . 7.9 Cg_exo -72.4 88.76 0.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.999 2.466 . . . . 0.0 111.044 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -77.97 43.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.407 -173.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t -122.73 36.49 4.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.696 0.76 . . . . 0.0 108.957 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -123.94 -177.38 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.379 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 70.43 -48.36 0.64 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.655 0.782 . . . . 0.0 112.318 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -99.83 -29.07 12.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.12 -29.6 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.47 0.653 . . . . 0.0 110.515 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 t -147.38 154.78 41.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.389 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.248 0.985 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.389 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -20.17 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -80.81 -6.22 58.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.801 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -77.49 -6.45 53.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt -121.96 71.31 31.18 Favored Pre-proline 0 C--N 1.327 -0.391 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.27 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.834 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 26.8 Cg_endo -63.93 -58.99 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.208 1.939 . . . . 0.0 111.483 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 32.9 mtmm 73.82 -9.18 1.26 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.16 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -92.89 120.05 32.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.471 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.4 mm? -95.37 128.32 42.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 42.0 t80 -95.2 117.33 30.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.419 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 78' ' ' VAL . 48.6 t -115.42 121.21 66.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.335 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -106.66 168.99 14.86 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.977 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 93.2 m-20 75.87 49.86 0.07 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.316 0.647 . . . . 0.0 112.088 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 49' ' ' CYS . 62.6 mt -88.84 177.59 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -148.59 167.31 25.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.608 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 4.6 mpt_? -68.92 -23.9 64.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.5 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.31 -28.94 67.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.245 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.91 123.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.618 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.2 t -92.34 146.28 23.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.09 -35.11 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.367 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.89 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.963 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 67.7 tp -68.49 -53.53 22.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.278 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.7 -53.87 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -63.49 -37.64 88.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.285 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -63.29 -44.4 95.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 110.892 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 29.3 mt -62.98 -43.93 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 66' ' ' MET . 37.6 m-85 -68.96 -35.7 77.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.298 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -61.58 -30.11 70.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -69.28 -27.92 65.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.412 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.4 mm -90.59 -53.16 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.22 160.86 28.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 37.1 Cg_endo -66.25 116.16 3.88 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.631 2.221 . . . . 0.0 112.136 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.26 125.05 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.018 0.437 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -87.12 -40.37 14.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.267 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -159.89 153.19 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.8 p -126.28 147.08 49.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.153 0.502 . . . . 0.0 111.368 -176.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.82 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 42.7 mmtm -123.58 110.03 14.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.384 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.1 ttm -95.53 99.32 11.22 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.0 mm -110.8 84.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 0.0 110.482 -177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.509 ' HA ' ' HB3' ' A' ' 47' ' ' PRO . 63.7 mtt -85.77 86.23 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.07 131.17 49.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.738 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 t -101.88 -9.47 20.7 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.555 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.28 -33.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.6 -99.65 0.72 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.126 -175.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.34 -172.06 1.96 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.525 0.202 . . . . 0.0 110.95 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.7 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 30.7 t70 -71.31 132.59 85.89 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.509 ' HB3' ' HA ' ' A' ' 40' ' ' MET . 54.5 Cg_exo -38.17 132.31 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.369 3.379 . . . . 0.0 114.41 -175.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -132.06 166.29 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.718 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.84 ' HB2' HD11 ' A' ' 14' ' ' LEU . 49.6 t -135.85 141.74 44.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.115 0.483 . . . . 0.0 111.126 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.82 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 95.8 m-85 -109.99 139.15 45.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.32 112.87 8.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.492 0.663 . . . . 0.0 110.715 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.99 117.92 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.682 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.93 157.97 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.03 0.443 . . . . 0.0 111.059 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 68.6 m80 -81.6 -14.43 56.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.745 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.532 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -141.89 124.33 15.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.839 -165.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.407 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 73.0 t60 -78.43 -34.81 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.994 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.532 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 42.1 ttm180 -67.64 -32.87 73.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.018 0.437 . . . . 0.0 110.582 -175.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -77.83 -31.09 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.342 0.592 . . . . 0.0 109.758 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.62 -23.08 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.629 177.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.03 -42.6 80.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.448 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.42 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.243 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -34.65 76.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.46 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -62.11 -43.95 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.19 27.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.208 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.19 -33.36 19.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 13.9 tpt -87.83 -40.12 14.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 -176.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.559 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 51.8 t30 -74.65 110.33 8.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.68 -7.33 13.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.368 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' NE ' ' HA ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -71.61 165.93 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -121.1 119.84 33.59 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.881 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.95 118.88 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.22 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.9 mmm 56.15 32.82 20.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.129 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.26 20.96 69.83 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.892 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -122.2 148.34 45.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.341 0.57 . . . . 0.0 110.407 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.59 109.22 7.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 76' ' ' VAL . 30.3 m -74.12 108.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.902 0.858 . . . . 0.0 109.884 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 16.0 mmtm -102.6 109.12 20.63 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 11' ' ' VAL . 26.1 t -115.85 117.03 54.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.646 -174.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.496 ' HA ' HD21 ' A' ' 63' ' ' LEU . 10.2 p30 -128.88 158.33 39.06 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.468 ' HE3' HG23 ' A' ' 82' ' ' THR . 6.4 p-90 -85.62 103.27 14.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.331 0.586 . . . . 0.0 110.469 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.2 95.52 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.834 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 7.9 p -70.54 150.47 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.906 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 p -98.78 104.1 22.98 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.3 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.14 33.23 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.167 2.578 . . . . 0.0 112.518 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 p 46.93 39.31 7.35 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.379 0.672 . . . . 0.0 111.541 -176.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 t -95.02 74.93 3.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -94.02 115.63 27.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.329 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -91.54 54.67 2.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.461 0.648 . . . . 0.0 109.773 174.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -100.6 -22.97 14.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.726 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.09 123.75 16.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.656 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.9 m -82.22 110.12 17.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.803 176.115 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.377 0.608 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.52 -31.1 57.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.636 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' HA ' ' CG2' ' A' ' 82' ' ' THR . 13.9 t70 -63.6 -34.64 78.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 176.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.52 -22.04 66.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.832 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.4 mtp -130.09 72.0 82.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.678 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.76 -45.94 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.505 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mttp 70.61 -54.89 0.64 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.895 0.878 . . . . 0.0 112.468 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 m -82.88 139.53 33.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 0.0 111.605 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.6 mm? -93.84 138.83 31.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 51.7 t80 -104.81 105.59 15.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.59 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.752 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 66.1 t -111.43 112.82 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.828 0.347 . . . . 0.0 110.73 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.58 -170.01 18.75 Favored Glycine 0 C--O 1.237 0.33 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.788 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 43.24 9.01 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.027 0.531 . . . . 0.0 111.205 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 30.6 mt -69.97 157.4 37.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.457 . . . . 0.0 111.28 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.0 m -131.57 158.85 39.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.26 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -41.47 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.614 0.245 . . . . 0.0 111.546 -175.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -78.48 -0.79 30.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.369 . . . . 0.0 111.191 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 15' ' ' SER . 86.8 t -88.12 109.03 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 22' ' ' LEU . 12.0 t -88.34 144.63 26.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 0.0 111.017 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.51 -39.87 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.822 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.86 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.784 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.692 ' H ' HG23 ' A' ' 19' ' ' THR . 67.5 tp -68.26 -52.72 30.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.838 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.26 -53.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.664 0.602 . . . . 0.0 111.334 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -62.32 -38.97 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.541 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -59.92 -43.91 94.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.16 -43.17 99.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 45.3 m-85 -70.34 -33.02 70.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -66.29 -24.69 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.727 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -73.9 -25.37 59.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.324 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mm -85.98 -51.32 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.89 -179.21 23.71 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.025 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.55 107.54 2.3 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -73.41 121.22 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.313 0.578 . . . . 0.0 110.549 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -84.47 -57.34 3.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' HB3' ' OE2' ' A' ' 52' ' ' GLU . 53.7 t30 -153.72 159.38 41.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.817 -171.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' HB3' HD11 ' A' ' 24' ' ' LEU . 8.2 p -126.84 107.16 9.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.245 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 24.9 mmmt -89.09 104.82 17.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 47.3 ttm -100.26 107.87 19.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.348 -176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mm -105.98 100.67 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.276 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.4 mtp -92.59 121.15 33.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -88.53 147.07 24.81 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.689 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -101.58 -17.98 16.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.854 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.28 42.66 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.5 -71.09 0.74 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.442 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.7 t30 174.69 -56.54 0.01 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.595 0.712 . . . . 0.0 109.968 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 7.2 p-10 -150.14 144.44 17.56 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.951 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 7.2 Cg_exo -73.49 140.41 29.97 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.769 2.313 . . . . 0.0 111.674 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -131.53 151.59 51.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.2 t -127.31 135.94 51.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.699 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.902 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 96.5 m-85 -95.02 122.19 37.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.721 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.79 113.17 41.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.795 0.331 . . . . 0.0 110.192 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 35' ' ' ASN . 42.7 mt-10 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 50.2 m-85 -109.31 155.68 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -87.25 -7.02 58.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.73 120.68 19.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.075 -177.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -63.42 -35.3 79.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.377 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.65 -42.5 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 109.976 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.02 -38.96 92.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.618 171.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.85 89.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.959 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.06 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.83 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 78' ' ' VAL . 1.7 tm? -53.97 -51.07 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.072 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.214 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.36 -29.0 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -171.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.5 mmm -96.79 -32.99 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.679 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.4 t30 -72.77 111.33 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.007 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 -8.64 28.66 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.722 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -84.43 124.06 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -83.19 121.15 26.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.616 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.9 mt -129.23 135.06 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.499 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG2' HG22 ' A' ' 71' ' ' ILE . 21.6 mmt 69.68 -72.37 0.11 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 111.858 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 44.58 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -152.3 166.55 31.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -83.63 138.63 33.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -98.59 148.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.752 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.0 mttm -129.77 109.15 10.72 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.679 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 39.9 t -118.96 99.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -120.0 168.19 11.41 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.667 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.497 ' NE1' ' HG ' ' A' ' 63' ' ' LEU . 91.9 m95 -83.41 116.91 22.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -72.58 91.55 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 3' ' ' ASP . 1.5 m -110.12 141.56 42.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.313 -175.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 p -109.95 104.95 56.61 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.449 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.586 ' HA ' ' OE1' ' A' ' 87' ' ' GLN . 24.4 Cg_exo -64.03 88.14 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.195 2.597 . . . . 0.0 112.194 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -90.28 118.21 29.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.943 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.4 m 71.56 4.03 4.89 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.887 0.742 . . . . 0.0 111.162 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.586 ' OE1' ' HA ' ' A' ' 84' ' ' PRO . 39.9 mt-30 -90.05 65.73 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.675 0.75 . . . . 0.0 110.054 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -95.32 28.79 2.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.046 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 46.2 mtpt 56.27 53.99 8.23 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.272 0.558 . . . . 0.0 109.58 -170.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.73 -36.87 59.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.298 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -175.44 49.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.319 1.056 . . . . 0.0 108.418 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.25 1.121 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.545 -173.723 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.58 0.229 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -65.28 -24.57 67.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.204 0.526 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.65 -5.51 25.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.084 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -104.97 -10.93 16.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.155 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.1 mmt -125.19 78.22 67.07 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.535 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.542 ' HG3' HG23 ' A' ' 82' ' ' THR . 31.9 Cg_exo -56.89 106.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 111.985 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -101.69 -3.04 28.92 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.435 0.636 . . . . 0.0 109.78 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.3 m -108.27 140.27 41.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.675 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.605 HD12 HD23 ' A' ' 63' ' ' LEU . 3.6 mm? -104.16 131.14 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.938 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 73.5 t80 -97.66 99.83 11.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.553 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 78' ' ' VAL . 34.6 t -97.35 118.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -116.89 -176.36 17.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER 68.5 25.61 6.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.831 0.453 . . . . 0.0 110.849 -179.685 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.32 158.51 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.604 0.716 . . . . 0.0 111.69 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -126.4 149.93 48.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.522 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -7.49 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.309 0.576 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.04 -9.22 58.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.511 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.9 t -102.5 125.75 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.035 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.5 t -90.88 149.01 22.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 111.471 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.02 -44.9 75.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.079 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.5 68.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.438 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 ' H ' HG23 ' A' ' 19' ' ' THR . 62.2 tp -67.93 -52.84 31.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.053 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 40.5 mm -57.71 -50.94 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.023 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' A' ' 36' ' ' CYS . 3.8 mm? -58.74 -45.41 89.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.397 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.61 -40.11 94.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.688 0.28 . . . . 0.0 111.116 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 37.4 mt -61.9 -46.35 89.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.538 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 68.8 m-85 -76.68 -32.83 58.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.274 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -61.12 -28.6 69.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.096 0.474 . . . . 0.0 110.625 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -42.17 99.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.658 176.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.17 -48.69 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.844 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.06 170.55 35.47 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.161 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.68 122.04 8.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.779 2.319 . . . . 0.0 112.091 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.9 p -77.62 136.61 38.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.464 0.649 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.31 -48.03 7.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -154.82 155.73 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.498 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.663 ' HB3' HD11 ' A' ' 24' ' ' LEU . 9.8 p -131.11 123.22 28.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 123.381 0.425 . . . . 0.0 110.409 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.777 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.3 mmmm -124.72 106.55 10.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.098 0.475 . . . . 0.0 110.723 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.54 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 53.3 tpp -92.14 105.78 17.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.06 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 mm -101.88 85.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.513 . . . . 0.0 110.373 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.54 ' HG2' ' HG3' ' A' ' 38' ' ' MET . 92.7 mmm -88.26 119.7 28.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.911 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.27 129.43 44.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.193 0.521 . . . . 0.0 110.494 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 t -102.5 6.49 40.02 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.358 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.07 -46.48 7.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.126 0.489 . . . . 0.0 110.598 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.82 6.96 0.3 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -79.35 148.08 32.19 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.8 t70 -59.72 115.13 11.47 Favored Pre-proline 0 C--O 1.234 0.281 0 O-C-N 123.474 0.484 . . . . 0.0 110.221 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.3 Cg_exo -68.31 141.81 52.95 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.047 2.498 . . . . 0.0 112.254 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.87 154.23 42.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.611 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.528 ' SG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -129.81 134.96 47.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.777 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 66.8 m-85 -95.29 116.36 28.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 9' ' ' LEU . 4.0 p -118.59 111.89 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.308 0.575 . . . . 0.0 110.097 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -98.04 139.5 33.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.864 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 9' ' ' LEU . 28.3 m-85 -104.48 156.84 17.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.052 0.453 . . . . 0.0 110.529 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.45 -9.38 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.38 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.2 121.68 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.291 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -63.26 -29.47 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 57' ' ' ARG . 27.1 mtm105 -60.23 -43.4 96.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.47 -23.05 34.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.262 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.05 -39.32 89.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.883 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.32 91.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.241 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.9 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.669 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.605 HD23 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -54.06 -52.52 60.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.221 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.38 -20.35 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.63 -37.31 15.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -102.68 -15.62 16.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -73.02 111.03 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.655 0.264 . . . . 0.0 110.733 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.11 10.7 55.86 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.743 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 76' ' ' VAL . 61.0 ttt180 -82.88 144.66 29.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 111.116 -173.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -77.05 98.98 5.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.716 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.597 HD12 HG11 ' A' ' 76' ' ' VAL . 70.2 mt -120.49 121.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.555 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt 66.0 -78.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 111.846 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.78 27.31 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 23.9 tptm -140.52 143.71 35.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -175.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.39 108.58 8.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.597 HG11 HD12 ' A' ' 71' ' ' ILE . 24.7 m -79.1 131.11 35.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.7 mttp -123.63 121.07 34.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.062 0.458 . . . . 0.0 110.975 -176.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 11' ' ' VAL . 21.8 t -109.49 119.84 59.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.887 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -124.17 164.34 19.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.07 113.74 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.528 0.204 . . . . 0.0 110.729 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -97.34 115.66 28.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.018 0.437 . . . . 0.0 110.824 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.542 HG23 ' HG3' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -100.56 -170.07 1.81 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.064 176.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 21.3 m -64.59 113.1 9.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.906 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 16.7 Cg_exo -67.16 90.76 0.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.861 2.374 . . . . 0.0 111.287 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -92.34 90.69 7.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.672 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m -83.47 56.16 3.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.649 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -130.91 41.3 3.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.165 0.507 . . . . 0.0 111.328 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -85.6 -15.82 41.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.742 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 74.07 -48.99 0.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.48 0.712 . . . . 0.0 111.766 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -129.57 175.83 8.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 t -133.68 -1.78 3.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.718 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.572 179.43 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mmm . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.354 0.121 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.28 -22.68 67.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.343 0.592 . . . . 0.0 110.673 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.4 -30.04 47.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.312 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.81 -21.68 24.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.98 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm -122.01 80.69 42.84 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.068 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.635 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 57.2 Cg_endo -71.28 126.03 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.39 2.06 . . . . 0.0 112.618 -177.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.22 -15.28 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.185 0.517 . . . . 0.0 110.08 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 52' ' ' GLU . 3.0 m -88.33 119.68 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.379 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.827 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -98.76 123.23 42.85 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.877 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 82.4 t80 -91.69 105.61 17.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 59.2 t -106.91 121.08 59.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.81 176.42 17.58 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.199 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 67.16 50.71 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.089 0.556 . . . . 0.0 111.011 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -84.5 148.23 26.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.168 0.508 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.771 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.6 t -97.81 151.53 20.11 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.681 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -9.11 57.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -174.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.36 4.87 31.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.287 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.771 HG23 ' HB3' ' A' ' 15' ' ' SER . 97.4 t -81.42 145.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.9 t -125.88 153.71 43.77 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.274 -177.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 35.5 tt0 -50.46 -47.21 56.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.631 0.372 . . . . 0.0 111.192 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.51 63.87 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.919 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' H ' HG23 ' A' ' 19' ' ' THR . 10.4 tt -77.55 -46.38 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.962 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 HD11 HG11 ' A' ' 18' ' ' VAL . 47.0 mm -60.59 -45.48 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.406 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.2 mm? -55.16 -43.95 74.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.948 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -68.68 -48.8 63.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -176.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.96 -47.08 84.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -176.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.53 -22.89 43.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.501 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 32.5 t -64.26 -31.24 72.36 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.018 0.437 . . . . 0.0 110.299 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.59 -30.02 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.587 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -89.43 -46.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 -178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.72 165.29 37.42 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.259 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 41.7 Cg_endo -68.18 122.81 9.9 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.563 2.176 . . . . 0.0 111.906 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.4 m -87.46 137.2 32.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.123 0.487 . . . . 0.0 111.054 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -94.17 -57.73 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.02 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -137.0 127.07 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.06 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' SG ' HG23 ' A' ' 51' ' ' VAL . 57.5 m -122.6 104.65 9.49 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -101.7 137.65 39.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.832 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttt -113.14 101.84 9.82 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.009 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mm -82.19 84.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 ptm -81.71 84.59 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.075 0.94 . . . . 0.0 109.665 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.38 71.06 6.07 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.055 -174.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -83.8 -5.01 59.1 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.48 -171.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.98 14.97 22.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.155 0.503 . . . . 0.0 109.888 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.68 -101.06 0.59 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.758 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.24 -167.98 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.574 0.226 . . . . 0.0 111.31 -175.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 m-20 -58.72 123.1 66.14 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.654 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 27.8 Cg_exo -62.68 152.95 75.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.14 2.56 . . . . 0.0 113.067 -176.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.808 ' HA ' HD23 ' A' ' 14' ' ' LEU . 30.5 p90 -145.97 167.18 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.526 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.626 ' SG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -137.9 148.11 45.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.986 0.422 . . . . 0.0 111.63 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.6 110.9 22.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.544 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 9' ' ' LEU . 3.6 p -113.12 111.87 37.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.351 0.596 . . . . 0.0 110.435 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 8' ' ' THR . 35.9 mt-10 -103.03 130.59 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.525 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.56 157.22 16.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 89.3 m-70 -79.47 -21.78 44.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.64 106.78 10.37 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.208 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -65.05 -32.25 73.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.518 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -66.51 -29.52 69.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.008 0.432 . . . . 0.0 110.325 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -86.18 -23.98 26.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.827 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.69 -33.51 74.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 110.346 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.498 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -40.12 81.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.86 93.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.443 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 3.1 tm? -54.7 -40.51 69.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.29 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.66 -59.36 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.347 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.0 -23.99 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -168.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.1 mmm -100.43 -4.19 29.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.457 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 26.4 t-20 -71.64 112.08 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.677 0.275 . . . . 0.0 110.856 -177.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.32 11.35 64.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.1 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 76' ' ' VAL . 24.9 ttt180 -80.26 140.17 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 110.753 -174.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -81.17 114.06 19.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.718 HD12 HG11 ' A' ' 76' ' ' VAL . 65.4 mt -120.76 119.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.141 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.3 mmt 66.51 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.92 12.33 1.1 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.887 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -136.5 142.78 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.914 0.387 . . . . 0.0 110.184 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.96 109.57 16.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 71' ' ' ILE . 15.4 m -71.28 148.44 10.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.266 0.555 . . . . 0.0 110.797 -176.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 59.2 mtpt -124.15 133.84 53.47 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.993 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.548 HG22 HG22 ' A' ' 11' ' ' VAL . 41.9 t -123.49 110.21 25.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.52 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -123.23 146.54 47.74 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -73.22 107.7 5.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.309 0.576 . . . . 0.0 110.251 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.877 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -87.19 103.05 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.155 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.635 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 1.9 p -70.15 113.29 7.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 7.0 m -109.33 104.29 54.78 Favored Pre-proline 0 C--N 1.318 -0.795 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.241 177.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 2.7 Cg_exo -76.01 163.31 33.31 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.326 2.684 . . . . 0.0 112.266 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -92.97 84.57 4.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.253 0.549 . . . . 0.0 109.807 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 t -84.65 81.12 9.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.558 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.81 ' HG3' ' H ' ' A' ' 88' ' ' LYS . 8.4 pt20 -108.24 -81.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.515 -177.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.81 ' H ' ' HG3' ' A' ' 87' ' ' GLN . 23.6 ttmm -105.62 -52.93 2.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.694 0.283 . . . . 0.0 110.844 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -95.0 71.39 3.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 0.0 111.441 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.51 -47.84 10.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.352 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.6 m -124.7 124.24 41.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.643 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.723 -178.699 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -62.53 -27.72 69.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -69.47 -17.18 63.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.485 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -85.46 -23.08 27.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 110.963 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm -129.14 71.94 81.99 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.1 132.07 25.26 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.463 2.109 . . . . 0.0 112.387 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 98.1 mttt -94.08 9.26 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.42 . . . . 0.0 110.339 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' HG2' ' A' ' 52' ' ' GLU . 28.9 m -110.61 118.99 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.584 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.9 mm? -92.95 133.37 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 64.4 t80 -102.78 96.95 7.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 57.3 t -100.13 118.19 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.432 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.42 171.88 15.07 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.471 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.948 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 5.5 t30 68.2 49.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 110.637 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 HG11 ' A' ' 18' ' ' VAL . 87.3 mt -85.52 130.9 34.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.84 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.468 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.2 t -92.06 166.66 12.55 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.876 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -75.08 -9.84 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.43 -17.17 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.764 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 15' ' ' SER . 77.8 t -86.65 107.99 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.687 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -87.42 149.4 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.9 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.044 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -65.24 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.896 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 2.6 tm? -85.38 -51.24 6.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.417 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -59.19 -57.04 13.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.285 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 36' ' ' CYS . 37.4 mt -60.79 -31.29 70.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.613 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 48.9 tt0 -68.39 -46.95 68.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 46.3 mt -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.119 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 59.0 m-85 -73.7 -34.87 65.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.474 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -65.45 -25.23 67.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.078 0.466 . . . . 0.0 110.602 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -71.33 -23.52 61.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.441 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.472 HG21 ' HB2' ' A' ' 62' ' ' ALA . 45.8 mm -93.57 -53.22 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.1 177.51 23.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.031 -176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 59.6 Cg_endo -76.09 110.15 3.02 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.944 2.429 . . . . 0.0 112.246 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.37 129.52 37.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.654 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -89.32 -53.04 4.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.26 0.552 . . . . 0.0 110.159 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -162.27 144.96 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.422 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' HB2' HD21 ' A' ' 24' ' ' LEU . 43.7 t -109.16 127.01 53.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.32 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 34.0 tptt -110.94 130.36 55.61 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.53 107.43 11.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.4 mm -102.76 109.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.715 -174.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.41 110.21 17.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.41 0.624 . . . . 0.0 110.244 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.52 113.26 25.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.944 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 t -102.38 6.93 40.52 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.708 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.53 -72.72 0.56 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.089 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.14 12.82 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.785 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -110.08 156.93 19.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.948 ' HB2' ' HA ' ' A' ' 13' ' ' ASN . 0.8 OUTLIER -73.23 128.84 86.94 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 172.597 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.5 130.85 34.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.005 2.47 . . . . 0.0 111.894 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -124.05 150.58 44.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.381 0.61 . . . . 0.0 111.185 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -124.03 136.29 54.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.817 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 88.0 m-85 -96.0 107.9 20.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.835 174.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -101.45 105.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.045 0.45 . . . . 0.0 109.872 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HG2' HG23 ' A' ' 8' ' ' THR . 35.8 mt-10 -93.01 129.39 38.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -176.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 53.5 m-85 -107.85 164.98 11.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.215 0.531 . . . . 0.0 110.839 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 85.4 m-70 -92.42 -7.81 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.109 172.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.6 tm-20 -140.54 114.53 9.04 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.104 -166.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.479 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 83.4 t60 -79.0 -30.18 44.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.672 -175.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.529 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 32.0 ttt180 -62.35 -36.57 82.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 110.32 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -82.1 -33.19 29.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.189 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.37 -33.57 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.68 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.13 79.92 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.812 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.61 84.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.597 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' A' ' 30' ' ' ILE . . . -58.22 -42.47 86.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.779 HD12 HG12 ' A' ' 78' ' ' VAL . 7.3 tp -57.74 -55.07 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.92 79.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.958 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.03 -33.65 63.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.721 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.62 ' HB3' HG21 ' A' ' 78' ' ' VAL . 36.7 tpp -86.42 -40.96 14.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.543 -175.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.668 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.3 t30 -70.38 134.81 48.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.512 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 11.0 85.61 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.484 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -100.05 127.13 46.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.02 112.57 3.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.979 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.5 mt -135.44 125.53 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.931 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.464 ' CE ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 58.99 26.27 14.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.071 0.463 . . . . 0.0 110.914 -178.176 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.25 70.14 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.442 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.772 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 9.5 mmpt? -116.19 160.46 20.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.274 0.559 . . . . 0.0 111.309 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -91.94 110.17 21.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.541 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.0 146.9 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.666 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttp -129.29 120.96 26.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.779 HG12 HD12 ' A' ' 63' ' ' LEU . 18.5 t -115.2 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.027 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -116.41 147.41 41.69 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.623 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -86.7 102.53 14.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.362 0.601 . . . . 0.0 109.693 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -71.0 94.49 1.09 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.952 -171.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.445 ' HB ' ' H ' ' A' ' 83' ' ' THR . 12.9 p -83.58 -155.88 0.19 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.836 174.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -70.04 124.68 91.17 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 176.057 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 2.9 Cg_exo -75.56 74.59 4.23 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.046 2.497 . . . . 0.0 111.994 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.3 t -73.72 148.38 42.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.319 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.2 p 50.48 37.51 16.0 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.793 0.806 . . . . 0.0 111.179 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -142.93 64.7 1.35 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.506 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -75.62 79.12 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.114 -173.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.67 68.43 9.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.455 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.49 -30.97 23.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.008 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -115.23 144.75 43.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.6 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.349 -179.176 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.474 0.178 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.07 -18.61 64.54 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.516 0.674 . . . . 0.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -47.24 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.66 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -89.87 -2.5 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.433 -172.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.9 mtm -131.67 73.73 78.77 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.464 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.76 98.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.786 2.324 . . . . 0.0 112.053 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 31.1 ttmt -91.45 -4.48 55.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.501 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -108.82 131.37 55.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.967 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.1 mm? -100.25 129.98 46.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.547 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 24.3 t80 -94.65 106.93 18.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.344 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.627 HG22 HG22 ' A' ' 78' ' ' VAL . 45.0 t -111.23 122.53 65.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.23 -175.89 20.8 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.653 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.67 48.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.476 0.71 . . . . 0.0 111.248 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.5 mm? -91.57 171.64 9.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.697 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.776 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.8 t -139.24 147.54 41.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -65.07 -13.44 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.88 8.07 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.776 HG23 ' HB3' ' A' ' 15' ' ' SER . 93.3 t -95.94 116.07 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.1 t -75.13 144.12 42.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.586 0.708 . . . . 0.0 111.102 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.85 -31.1 72.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.625 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.56 71.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.175 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' H ' HG23 ' A' ' 19' ' ' THR . 57.7 tp -72.87 -56.47 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.397 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.79 -46.57 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.93 -32.14 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.413 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.41 -46.0 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.632 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.79 -49.67 72.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 92.9 m-85 -74.68 -31.92 62.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.5 t -65.1 -29.11 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.186 0.517 . . . . 0.0 110.271 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.83 -18.55 62.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 62' ' ' ALA . 45.2 mm -99.38 -52.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.63 169.36 24.63 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.717 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.85 116.25 4.36 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.041 2.494 . . . . 0.0 112.148 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.02 137.75 45.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.25 0.548 . . . . 0.0 111.048 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 57.6 tttt -106.14 -55.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.811 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -156.45 158.85 38.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 p -138.24 117.14 12.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.966 0.412 . . . . 0.0 110.841 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.825 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 30.4 mmmt -101.12 106.98 18.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 ptm -92.18 99.09 11.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.488 0.661 . . . . 0.0 110.856 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -92.94 85.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.234 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 mmt -86.27 141.32 29.36 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.521 176.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.9 p-10 -62.4 131.95 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.223 0.535 . . . . 0.0 110.121 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -86.07 -24.69 26.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.941 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -175.45 25.88 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.385 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.638 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 147.1 -177.91 25.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -172.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 39.1 m-80 76.25 169.67 0.26 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.241 0.616 . . . . 0.0 110.273 -173.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 9.2 p-10 -90.63 134.65 30.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.872 177.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.2 Cg_exo -80.48 140.24 13.34 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.005 2.47 . . . . 0.0 112.47 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' A' ' 14' ' ' LEU . 22.1 p90 -153.65 166.53 32.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.319 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.44 140.93 46.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 76.1 m-85 -100.66 105.44 16.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.924 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 9' ' ' LEU . 14.4 m -101.36 121.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.193 0.521 . . . . 0.0 110.57 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 41.3 mt-10 -100.74 137.9 38.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.89 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 38.0 m-85 -106.3 175.6 5.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.696 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -99.64 -12.36 20.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.477 0.656 . . . . 0.0 109.246 170.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.4 tm-20 -135.88 120.36 18.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.156 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -76.7 -33.78 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.658 -173.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.502 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.3 ttt180 -65.43 -36.53 84.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.236 0.541 . . . . 0.0 110.263 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -73.81 -34.2 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.809 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.843 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -62.75 -33.11 74.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.607 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.01 -50.5 68.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.9 92.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -59.42 -46.01 89.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.49 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.507 HD12 HG12 ' A' ' 78' ' ' VAL . 4.1 tt -63.1 -43.98 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.794 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.27 72.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.82 -35.11 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.1 mmm -87.82 -23.5 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.58 110.72 4.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.16 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.84 10.26 56.61 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.167 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.1 tpt180 -78.22 166.32 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -119.6 107.17 12.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.436 HD13 HG11 ' A' ' 76' ' ' VAL . 3.4 mp -117.79 124.18 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.455 ' HG3' HG22 ' A' ' 18' ' ' VAL . 9.7 mmt 63.63 18.38 11.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.357 0.411 . . . . 0.0 111.335 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.89 -4.42 85.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 13.4 mptt -90.3 138.16 31.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 69' ' ' ARG . 16.8 m -86.13 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.189 0.519 . . . . 0.0 110.333 -175.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.8 mttp -127.08 122.12 33.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.954 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.627 HG22 HG22 ' A' ' 11' ' ' VAL . 28.5 t -113.84 123.42 69.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.143 -176.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -136.84 154.37 50.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.821 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.479 ' CD1' HD13 ' A' ' 63' ' ' LEU . 21.6 m0 -69.67 119.4 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.361 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.577 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -91.58 105.22 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -86.46 139.07 31.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t -126.35 104.27 25.24 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-O 121.305 0.574 . . . . 0.0 110.694 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.4 120.75 7.55 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.921 2.414 . . . . 0.0 111.547 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -78.34 71.3 4.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 0.0 110.706 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.3 m -83.35 118.77 23.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.707 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -131.13 97.94 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -78.95 65.94 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.622 . . . . 0.0 109.946 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -68.97 -23.97 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.073 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -106.5 -171.85 1.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.209 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.4 m -86.22 -41.48 14.61 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 119.12 -0.467 . . . . 0.0 111.72 -174.238 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptm . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 5' ' ' MET . 47.7 mt-10 -70.63 -24.79 62.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.71 80.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.475 170.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' C ' ' HD3' ' A' ' 6' ' ' PRO . 76.3 mm-40 -79.68 27.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.46 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.461 ' HE2' ' HA ' ' A' ' 2' ' ' GLU . 52.3 mtm -124.34 72.06 57.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 80' ' ' TRP . 15.4 Cg_exo -69.46 120.98 7.74 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.965 2.443 . . . . 0.0 112.824 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -86.38 -15.05 41.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -94.48 125.65 39.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.079 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.811 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.0 mm? -94.1 139.11 31.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.058 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HD2' ' CE2' ' A' ' 50' ' ' PHE . 79.3 t80 -105.15 96.36 6.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.083 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 78' ' ' VAL . 39.0 t -99.45 112.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.252 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.14 21.22 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.962 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 69.62 32.66 3.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.146 0.557 . . . . 0.0 111.36 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 57.0 mt -72.38 154.21 41.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.914 0.388 . . . . 0.0 109.962 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.621 ' OG ' ' HD3' ' A' ' 74' ' ' LYS . 3.5 m -122.27 172.92 7.95 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.59 -23.36 63.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.689 0.757 . . . . 0.0 108.963 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB3' ' HE2' ' A' ' 72' ' ' MET . 6.1 m-20 -74.31 -18.15 60.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.037 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.471 HG11 HD22 ' A' ' 14' ' ' LEU . 57.3 t -85.68 130.37 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 22' ' ' LEU . 5.2 t -106.95 144.91 32.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.36 -37.77 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.935 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.405 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 26' ' ' LEU . 48.4 tp -71.16 -52.05 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.547 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.84 -51.7 49.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.68 -29.99 70.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.434 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -65.67 -43.0 90.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.023 0.439 . . . . 0.0 110.281 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -58.37 -46.83 85.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.978 177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' HD2' ' HB1' ' A' ' 62' ' ' ALA . 61.2 m-85 -73.29 -35.1 66.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.63 -24.57 67.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -69.37 -24.05 63.83 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.562 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.5 -49.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.51 158.21 28.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.617 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.7 124.69 8.96 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.979 2.452 . . . . 0.0 112.637 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -97.97 146.02 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.857 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.675 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 41.2 pttt -102.03 -31.11 10.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.852 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -151.53 148.69 28.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.588 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.7 p -132.03 112.69 12.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.25 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.886 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 mmmm -89.91 106.65 18.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.204 0.526 . . . . 0.0 110.139 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 95.0 mmm -91.44 98.7 11.84 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.887 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 45.3 mm -83.66 105.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.282 -178.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtm -93.2 128.51 39.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.464 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.07 144.28 31.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.754 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 t -101.13 -4.03 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -173.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.07 -75.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.925 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.76 64.47 0.17 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.94 170.2 9.23 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -87.34 113.61 54.77 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 171.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 20.5 Cg_exo -66.61 152.0 81.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.304 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 19.0 p90 -135.34 147.15 49.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB2' HD11 ' A' ' 14' ' ' LEU . 53.2 t -120.2 136.37 54.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.886 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 79.5 m-85 -103.66 115.54 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.15 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.0 m -115.03 123.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.887 0.375 . . . . 0.0 111.005 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -98.2 120.43 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 22.7 m-85 -87.79 158.14 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.748 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.675 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 30.8 m80 -86.24 -8.6 57.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.286 173.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -139.03 114.81 10.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.45 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -66.31 -30.13 70.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.71 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -63.96 -34.76 78.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -85.27 -28.61 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.293 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.811 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -60.25 -40.1 89.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.272 174.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.84 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.589 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.04 88.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.726 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 27' ' ' PHE . . . -63.92 -37.6 88.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.595 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 80' ' ' TRP . 9.9 tt -59.51 -51.19 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.244 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.13 86.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.02 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.32 -33.34 49.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE1' ' HG ' ' A' ' 26' ' ' LEU . 13.6 tpt -91.54 -25.56 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.658 0.266 . . . . 0.0 111.353 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -61.65 110.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 10.13 51.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.119 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 11.5 tpt180 -71.64 152.64 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.7 ' HD3' ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.59 127.17 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 72' ' ' MET . 44.4 mt -138.41 117.76 14.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 71' ' ' ILE . 93.0 mmm 69.04 -5.03 1.11 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.746 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.56 -9.39 6.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.9 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.621 ' HD3' ' OG ' ' A' ' 15' ' ' SER . 28.5 mtpp -117.28 166.66 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -96.03 120.43 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.396 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.522 HG11 HD12 ' A' ' 71' ' ' ILE . 17.4 m -81.07 139.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.0 mttm -123.88 118.38 26.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.256 0.551 . . . . 0.0 110.785 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 11' ' ' VAL . 43.8 t -109.31 107.22 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.536 -176.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -110.39 -176.99 3.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.506 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . 10.0 p-90 -111.16 133.82 53.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.832 0.349 . . . . 0.0 110.225 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . -97.47 102.41 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.987 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.94 139.04 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.312 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.1 p -111.26 104.57 56.31 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.657 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.79 13.27 2.74 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.108 2.538 . . . . 0.0 112.882 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -82.3 56.41 3.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.136 0.493 . . . . 0.0 110.123 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.7 m -85.54 126.56 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.481 -174.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 58.69 45.77 15.38 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.553 175.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.39 -5.38 52.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.071 0.462 . . . . 0.0 110.627 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.05 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.904 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.44 125.09 30.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.093 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.4 t -132.5 21.56 4.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.666 0.746 . . . . 0.0 109.871 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.222 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HB3' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' H ' ' HB3' ' A' ' 1' ' ' MET . 12.6 pt-20 -83.11 -22.34 33.41 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 110.176 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.56 -14.05 62.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.985 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -89.03 14.57 10.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.58 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.439 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 66.4 mtt -115.68 97.14 48.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.117 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 5' ' ' MET . 14.3 Cg_endo -56.35 109.8 0.49 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.214 2.609 . . . . 0.0 113.144 -173.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.46 -10.17 25.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -112.24 132.71 54.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.876 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.569 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -95.8 127.69 42.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 34.3 t80 -90.8 97.19 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG21 ' HZ ' ' A' ' 27' ' ' PHE . 43.7 t -114.63 112.83 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 111.56 -175.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -108.31 127.66 8.75 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.701 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 2.7 p-10 177.87 -7.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.638 0.257 . . . . 0.0 110.61 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 89.6 mt -55.93 140.37 43.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.389 0.614 . . . . 0.0 111.619 -170.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 m -147.3 178.89 8.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.357 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -55.38 -46.63 76.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.69 14.04 9.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.87 130.75 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.0 t -118.62 153.77 33.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -53.67 -48.31 69.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.729 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -36.91 71.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.584 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 26' ' ' LEU . 60.9 tp -66.51 -53.99 28.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.057 0.456 . . . . 0.0 110.109 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.68 -49.08 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.291 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -64.68 -33.42 75.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.333 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -64.55 -40.46 95.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 0.0 110.032 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.0 mm? -63.57 -29.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.245 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.745 ' HZ ' HG21 ' A' ' 11' ' ' VAL . 55.6 m-85 -87.25 -28.22 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.478 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -71.42 -20.19 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.007 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 10.8 pt20 -75.61 -11.97 60.12 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.03 -50.7 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.26 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.42 161.47 30.14 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.07 116.5 4.03 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.861 2.374 . . . . 0.0 112.209 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -77.47 136.66 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -100.31 -47.48 4.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.59 153.56 34.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.212 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HB3' HD21 ' A' ' 24' ' ' LEU . 12.0 p -128.67 125.69 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.482 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.94 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.2 mmmt -111.06 106.19 15.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 ttt -88.7 114.1 24.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.908 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm -106.0 101.35 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.234 0.54 . . . . 0.0 110.079 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 ptm -110.56 113.89 26.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -79.98 140.93 36.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.38 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -94.37 5.58 51.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.232 0.539 . . . . 0.0 110.024 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.17 -7.04 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.82 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.78 -117.38 5.15 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.14 -168.05 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.039 0.935 . . . . 0.0 112.754 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.8 t70 -90.83 113.94 59.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.092 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.627 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.6 Cg_exo -79.49 146.34 19.24 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.108 2.539 . . . . 0.0 112.075 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 15.9 p90 -129.26 162.68 27.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.031 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HB2' HD11 ' A' ' 14' ' ' LEU . 42.6 t -134.07 139.31 45.89 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.366 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.94 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 89.9 m-85 -95.53 133.48 39.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.404 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.48 121.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.999 0.428 . . . . 0.0 111.036 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.07 130.49 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.602 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 14.6 m-85 -102.04 145.52 29.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.921 0.391 . . . . 0.0 110.611 176.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.117 174.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -125.4 109.83 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.669 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.64 -32.57 69.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.372 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 57' ' ' ARG . 40.1 mtp180 -67.57 -36.27 80.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -79.36 -21.23 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.327 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.569 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.94 -32.63 74.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.472 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.737 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -64.81 -46.34 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.122 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.92 88.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -61.12 -57.29 13.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.725 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.52 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.907 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 -33.19 61.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.602 ' HB3' HG21 ' A' ' 78' ' ' VAL . 42.7 tpp -92.05 -39.48 11.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.716 -174.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.717 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.0 t30 -63.98 125.38 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 111.099 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.17 66.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.48 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.587 ' O ' HG22 ' A' ' 76' ' ' VAL . 72.9 ttt180 -79.57 156.61 27.64 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -105.03 119.24 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 0.0 110.113 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.49 HD12 HG11 ' A' ' 76' ' ' VAL . 71.7 mt -137.49 126.77 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.017 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 62.75 23.71 14.13 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.513 0.508 . . . . 0.0 110.564 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.57 2.94 57.15 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.6 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -105.48 167.02 10.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.415 . . . . 0.0 110.737 -176.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.36 111.74 23.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.513 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.701 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 11.8 m -84.78 134.51 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.4 mtmm -126.51 134.01 51.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.763 HG12 HD12 ' A' ' 63' ' ' LEU . 26.2 t -128.75 109.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.246 0.546 . . . . 0.0 109.98 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -120.85 157.57 29.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.422 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.737 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.7 m95 -77.59 112.97 14.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.65 0.262 . . . . 0.0 110.515 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -83.53 91.98 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.269 0.557 . . . . 0.0 109.652 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.2 p -102.99 142.53 33.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.059 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -118.49 103.67 48.67 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 170.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.78 158.3 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.411 2.074 . . . . 0.0 112.973 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 m -63.91 114.75 4.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.336 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -51.69 -41.43 61.42 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.232 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.1 -73.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.93 172.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -122.66 -69.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -138.42 151.81 47.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.548 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -96.13 -9.43 30.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 111.07 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.33 132.38 34.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.932 179.03 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.98 0.419 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.16 -33.36 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.335 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.918 ' HB3' ' HA ' ' A' ' 84' ' ' PRO . 6.2 p-10 -76.28 -3.38 36.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.365 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.29 -20.13 28.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.228 0.537 . . . . 0.0 109.837 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.9 mtt -131.29 80.83 67.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.958 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 45.9 Cg_endo -70.52 140.44 39.82 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.509 2.14 . . . . 0.0 112.538 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -116.46 9.37 14.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 109.857 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 12.1 m -112.32 128.82 56.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.365 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.29 123.28 39.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.965 0.412 . . . . 0.0 109.946 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.744 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 53.2 t80 -96.67 98.54 10.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 78' ' ' VAL . 59.2 t -98.77 112.51 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.05 167.07 12.59 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.272 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.591 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 23.1 m120 74.35 54.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.398 0.679 . . . . 0.0 111.776 176.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 49' ' ' CYS . 85.1 mt -82.76 -176.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 177.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.782 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 46.3 t -148.37 162.98 38.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.562 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -16.53 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 109.857 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -78.18 -21.98 49.32 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.192 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.2 t -82.97 139.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.371 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -126.7 149.07 49.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.158 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -25.81 65.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.837 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.19 -51.69 6.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.879 0.371 . . . . 0.0 110.592 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.57 -48.87 84.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.111 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -65.85 -29.09 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.471 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.08 -46.6 83.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.266 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.15 -45.67 92.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.686 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -67.83 -36.63 80.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -63.99 -26.7 68.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.228 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.43 -20.14 60.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.531 HG22 ' HB3' ' A' ' 58' ' ' HIS . 35.8 mm -101.04 -51.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.377 -177.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.6 158.34 27.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.447 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 55' ' ' GLU . 35.4 Cg_exo -61.16 119.53 6.73 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.156 2.57 . . . . 0.0 111.956 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.3 m -80.34 135.38 36.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.702 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.09 -46.49 10.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.445 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -165.29 167.19 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.447 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.707 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.6 p -137.63 124.45 21.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.157 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -125.95 105.66 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.034 0.445 . . . . 0.0 110.805 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 61.7 mtm -90.93 109.5 20.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.866 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -83.93 102.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -81.64 84.76 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.279 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.31 142.11 58.51 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.952 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -100.82 -31.72 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.118 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.98 54.53 0.0 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.044 0.449 . . . . 0.0 110.624 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.94 -52.07 0.62 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -160.21 -85.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.995 0.426 . . . . 0.0 111.03 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.591 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 5.2 t70 -150.86 124.41 4.33 Favored Pre-proline 0 C--N 1.31 -1.12 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 4.1 Cg_endo -46.63 142.96 9.36 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.042 3.162 . . . . 0.0 113.833 -174.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -140.99 165.46 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.631 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.543 ' HB2' HD11 ' A' ' 14' ' ' LEU . 43.3 t -136.39 142.46 43.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.198 0.523 . . . . 0.0 111.28 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -100.86 119.22 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.999 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -123.79 114.91 43.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 8' ' ' THR . 43.4 mt-10 -99.36 146.02 26.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.87 0.367 . . . . 0.0 111.069 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB3' ' H ' ' A' ' 55' ' ' GLU . 3.8 m-85 -113.65 152.59 30.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.69 -7.59 58.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 49.4 mm-40 -118.16 97.32 5.74 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.981 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -65.87 -30.12 70.67 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -67.14 -46.36 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.784 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' HB3' HG22 ' A' ' 30' ' ' ILE . 23.4 m80 -79.41 -16.89 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.491 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.18 74.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.45 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.8 85.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.02 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.12 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.918 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.32 89.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.473 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HA ' HG11 ' A' ' 78' ' ' VAL . 10.3 tt -61.87 -53.05 61.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.562 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.6 -14.69 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ttt -116.59 -29.1 6.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.713 -0.395 . . . . 0.0 112.037 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 114.96 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 0.0 111.646 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.02 10.04 63.08 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.87 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.646 ' O ' HG22 ' A' ' 76' ' ' VAL . 74.4 ttt180 -93.15 132.26 37.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -79.41 121.12 24.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.253 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -128.63 115.98 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 mmt 59.99 43.95 13.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.245 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.8 -35.97 3.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.642 174.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.782 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 10.8 mmmm -95.13 148.64 22.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 111.737 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.37 109.62 20.14 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.796 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 69' ' ' ARG . 16.4 m -75.0 145.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.266 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 65.6 mttm -126.93 116.01 20.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.887 0.375 . . . . 0.0 110.282 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 11' ' ' VAL . 36.1 t -104.11 114.98 45.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.5 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -120.46 159.22 25.59 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.063 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.433 ' CE3' ' HG2' ' A' ' 6' ' ' PRO . 99.4 m95 -78.83 102.37 8.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 175.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -72.4 91.72 1.38 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.94 114.68 14.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.169 -178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 31.8 m -103.9 104.49 43.35 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.718 175.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.918 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 8.0 Cg_exo -72.88 178.13 6.81 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.064 2.509 . . . . 0.0 112.586 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.4 m -107.58 50.26 0.78 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.586 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.3 p 52.11 -94.73 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.936 0.894 . . . . 0.0 112.445 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.27 93.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.208 0.528 . . . . 0.0 111.419 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -74.91 -51.97 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.485 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 53.7 69.43 0.71 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.663 0.602 . . . . 0.0 110.647 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.01 139.3 52.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.263 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.9 t -151.74 152.29 32.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.218 -177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.055 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.581 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 49.7 ttm . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.656 0.265 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.19 -17.55 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.431 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -39.66 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 1' ' ' MET . 12.3 pt-20 -86.79 7.79 25.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.1 -171.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.8 ptm -126.48 71.95 72.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 121.187 0.518 . . . . 0.0 111.013 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.55 ' HG2' ' HE3' ' A' ' 80' ' ' TRP . 11.2 Cg_exo -71.21 127.43 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.63 2.22 . . . . 0.0 111.527 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 32.6 ttmt -97.89 4.91 49.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.69 0.757 . . . . 0.0 109.4 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -115.76 124.28 50.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.31 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.771 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -98.01 143.45 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.523 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.65 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 40.5 t80 -115.77 112.84 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.789 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 1.6 m -117.01 142.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.549 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.12 179.69 16.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.859 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 75' ' ' GLU . 61.9 t30 65.48 58.6 0.82 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 110.64 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.2 mm? -98.1 -177.38 3.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.605 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.444 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 27.9 t -148.62 148.65 30.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.561 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' CD ' ' H ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -66.06 -7.45 17.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.845 -179.461 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.71 -26.28 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 109.983 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 22' ' ' LEU . 42.4 t -74.73 141.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.295 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.6 t -120.43 158.94 26.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.562 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.24 -46.8 76.03 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.73 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.32 -25.8 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.689 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 18' ' ' VAL . 60.0 tp -80.27 -50.63 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.207 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 HG11 ' A' ' 18' ' ' VAL . 38.0 mm -57.95 -53.56 43.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.372 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.47 -47.97 82.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.535 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -62.32 -40.73 97.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.134 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 34.3 mt -56.42 -47.57 78.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 91.3 m-85 -78.66 -30.38 46.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.209 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.4 m -65.22 -26.73 68.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.154 0.502 . . . . 0.0 110.452 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.13 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.327 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.81 -52.86 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.82 165.99 26.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.933 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.97 120.01 7.16 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.813 2.342 . . . . 0.0 112.242 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -78.44 128.45 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.654 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -88.39 -51.19 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -170.96 153.92 4.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.933 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -136.1 108.16 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.94 0.4 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -95.07 106.72 18.74 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.242 0.544 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.431 ' O ' ' HG2' ' A' ' 38' ' ' MET . 1.1 pmm? -87.36 102.37 14.45 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.52 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.2 mm -79.69 85.02 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.744 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.78 83.79 7.11 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 8.5 t70 -73.39 148.97 42.84 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.569 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 t -80.11 -25.03 40.14 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.858 -172.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.45 -41.75 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.28 77.64 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.434 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 41' ' ' ASP . 15.6 m120 -135.36 154.5 51.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' HD2' ' A' ' 48' ' ' TYR . 6.3 t70 -84.2 128.09 63.77 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.666 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.6 Cg_endo -43.91 130.13 7.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 124.103 3.202 . . . . 0.0 114.542 -170.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.781 ' HA ' HD23 ' A' ' 14' ' ' LEU . 11.9 p90 -144.2 154.49 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.43 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -121.81 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.115 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -97.93 117.16 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.247 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 9' ' ' LEU . 46.1 t -113.24 114.25 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 -177.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -103.87 128.75 51.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 59.5 m-85 -105.67 174.77 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.23 -7.72 24.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.4 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 2.0 tm-20 -139.67 119.11 12.96 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.448 -170.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -77.75 -34.83 52.28 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -172.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -70.4 -26.06 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.343 0.592 . . . . 0.0 109.811 -177.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -83.01 -35.0 26.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.36 -39.92 84.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.426 175.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.09 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.284 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.04 72.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.3 79.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.406 HD11 ' HD1' ' A' ' 80' ' ' TRP . 9.3 tt -54.98 -58.53 7.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.497 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.88 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.779 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -31.08 41.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.862 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.28 -24.06 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -62.11 121.1 12.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.138 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.43 9.3 60.39 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.756 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 76' ' ' VAL . 23.7 ttt180 -85.74 128.26 34.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 0.0 110.123 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.55 125.72 34.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.341 0.591 . . . . 0.0 110.454 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.4 mt -125.82 119.05 53.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.889 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 69.07 -74.59 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.877 0.735 . . . . 0.0 110.795 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.09 10.17 0.46 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.152 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 67.8 mmtt -123.99 161.41 25.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 110.741 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ASN . 37.3 tt0 -117.21 108.0 15.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.817 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 69' ' ' ARG . 18.2 m -75.25 146.22 9.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 -174.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.789 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 85.1 mttt -132.09 107.07 8.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 HG12 ' A' ' 11' ' ' VAL . 25.1 t -97.81 105.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.103 -176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -115.78 149.71 38.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.55 ' HE3' ' HG2' ' A' ' 6' ' ' PRO . 2.7 p-90 -79.88 104.75 10.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.121 0.486 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -68.46 97.64 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.94 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.82 116.25 19.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 -176.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t -126.01 107.83 25.02 Favored Pre-proline 0 C--N 1.309 -1.196 0 CA-C-O 121.355 0.598 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.42 92.64 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.795 2.33 . . . . 0.0 111.003 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.5 m -63.53 108.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.169 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 m -130.29 30.24 4.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.306 0.575 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' CD ' ' H ' ' A' ' 87' ' ' GLN . 5.4 pm0 -80.09 -14.52 58.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.668 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -105.39 145.55 30.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.07 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.65 120.2 32.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.361 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.33 -35.46 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -108.49 98.25 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.137 0.494 . . . . 0.0 110.278 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.809 -178.012 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.55 -24.97 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.271 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -70.53 -27.65 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.901 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -90.27 -31.89 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.434 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 69.1 mtm -112.76 89.39 13.16 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.95 98.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.523 2.149 . . . . 0.0 111.463 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.77 -12.25 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.875 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.8 m -105.66 131.21 53.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.659 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.811 HD12 HD23 ' A' ' 63' ' ' LEU . 2.9 mm? -97.89 124.63 42.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.811 0.339 . . . . 0.0 110.144 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -91.19 100.89 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.769 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 78' ' ' VAL . 41.1 t -103.7 117.49 49.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.33 172.38 14.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.501 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.809 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 11.0 m120 66.44 64.13 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.582 0.706 . . . . 0.0 110.673 -176.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.4 mm? -98.31 -169.51 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.979 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.447 ' HB2' HG23 ' A' ' 18' ' ' VAL . 65.5 m -148.17 164.3 34.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.775 0.321 . . . . 0.0 110.524 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 9.0 mpt_? -77.29 -13.82 59.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.187 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -98.06 7.78 45.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.449 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 HD23 ' A' ' 22' ' ' LEU . 62.0 t -104.92 115.12 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.502 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 22' ' ' LEU . 9.5 t -96.06 159.3 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.41 -50.02 66.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.74 70.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.697 ' H ' HG23 ' A' ' 19' ' ' THR . 51.9 tp -67.12 -52.63 39.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.033 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -56.72 -46.72 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.592 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.48 -49.57 72.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -60.25 -41.98 94.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 0.0 111.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 HD12 ' HE1' ' A' ' 66' ' ' MET . 3.8 mm? -63.29 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.701 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 67.9 m-85 -86.45 -32.54 20.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -57.25 -36.29 70.78 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.884 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.53 -19.61 64.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.327 . . . . 0.0 111.307 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 62' ' ' ALA . 39.9 mm -91.51 -48.36 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.35 0.595 . . . . 0.0 109.537 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' HA3' ' CD2' ' A' ' 58' ' ' HIS . . . -158.31 155.82 26.82 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.054 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -69.04 123.79 10.7 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.797 2.331 . . . . 0.0 112.722 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 p -104.53 141.51 36.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.757 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.626 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 22.6 tptm -113.15 -33.19 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -128.12 147.95 50.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.464 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.36 124.23 9.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.098 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -122.45 105.72 10.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.495 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.46 104.56 16.6 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.396 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.5 mm -88.6 85.17 2.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.79 ' HA ' ' HB3' ' A' ' 47' ' ' PRO . 62.5 mtt -93.49 91.12 6.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.308 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 7.2 t70 -81.69 152.26 27.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.59 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -101.82 -19.29 15.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.253 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.56 -26.05 0.19 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.41 -72.75 1.27 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.184 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 41' ' ' ASP . 19.0 m120 -104.39 158.26 16.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.951 0.405 . . . . 0.0 110.61 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.809 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 23.4 t70 -82.46 117.76 69.57 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 171.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.79 ' HB3' ' HA ' ' A' ' 40' ' ' MET . 2.2 Cg_endo -39.64 135.1 1.38 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.839 3.693 . . . . 0.0 114.494 -168.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.69 ' HA ' HD23 ' A' ' 14' ' ' LEU . 13.8 p90 -138.05 157.37 46.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.713 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -132.79 139.67 47.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.091 0.472 . . . . 0.0 111.453 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.03 114.6 28.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.204 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 m -113.63 133.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.738 0.304 . . . . 0.0 110.838 176.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -108.58 130.37 55.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.174 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.9 m-85 -105.18 157.48 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.541 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.626 ' CE1' ' HB2' ' A' ' 34' ' ' LYS . 50.8 m80 -86.36 -10.66 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.552 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -136.77 120.22 16.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.307 -175.149 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -68.33 -27.94 66.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.253 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 59.9 ttt180 -64.46 -51.18 64.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.457 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.7 p-80 -90.76 -6.59 54.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.725 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.56 99.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.35 83.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.667 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 58' ' ' HIS . . . -57.22 -48.49 78.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.123 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -64.52 -38.6 91.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.811 HD23 HD12 ' A' ' 9' ' ' LEU . 1.8 tm? -51.47 -58.44 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.113 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.82 71.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.938 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.537 ' HE1' HD12 ' A' ' 26' ' ' LEU . 40.8 tpp -87.63 -26.78 22.87 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.424 -174.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -68.15 117.92 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.144 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 10.04 57.63 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.948 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -81.17 159.43 24.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -108.26 85.48 2.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 76' ' ' VAL . 66.7 mt -92.62 109.24 21.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.174 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.0 mmt 67.88 -74.73 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.031 0.832 . . . . 0.0 111.487 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.06 33.7 0.17 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.235 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.94 141.85 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -75.27 109.67 8.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.822 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 71' ' ' ILE . 24.2 m -93.59 138.03 21.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.457 0.646 . . . . 0.0 111.16 -175.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.6 mttm -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.858 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.74 HG12 HD22 ' A' ' 63' ' ' LEU . 14.4 t -120.87 109.89 26.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.824 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.63 170.72 9.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.333 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -71.25 129.21 38.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.832 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.6 98.95 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.43 ' HB ' ' H ' ' A' ' 83' ' ' THR . 35.9 p -119.59 -149.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.995 -174.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.43 ' H ' ' HB ' ' A' ' 82' ' ' THR . 9.6 t -50.12 137.39 20.86 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.16 95.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.484 2.789 . . . . 0.0 113.049 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -91.06 80.08 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.635 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 m -62.04 -46.37 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -174.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -159.62 130.35 5.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -113.83 120.8 42.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? 60.61 44.12 11.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.041 174.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.82 144.87 55.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.5 m -90.7 83.32 5.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.133 0.492 . . . . 0.0 111.447 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.629 176.384 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.901 0.381 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.32 144.91 23.54 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.979 2.453 . . . . 0.0 113.617 -175.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -104.27 3.17 32.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.993 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -98.92 124.34 43.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.06 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.646 ' HB2' HG23 ' A' ' 51' ' ' VAL . 3.5 mm? -99.37 130.64 45.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.899 0.381 . . . . 0.0 110.365 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.9 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 57.0 t80 -99.05 92.92 5.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.573 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 21.2 t -98.44 115.83 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.239 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.12 -173.07 21.06 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.399 176.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 76' ' ' VAL . 4.8 m-20 72.8 30.8 1.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.783 0.433 . . . . 0.0 111.169 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -83.02 172.6 12.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.266 0.555 . . . . 0.0 111.569 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.946 ' HB2' ' HD2' ' A' ' 74' ' ' LYS . 24.8 t -141.95 152.38 43.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.192 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -16.16 63.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.035 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.46 -5.31 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.673 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 15' ' ' SER . 47.6 t -85.75 98.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 174.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.2 t -69.15 143.28 54.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.73 0.776 . . . . 0.0 111.459 -173.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.42 -28.52 70.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.46 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' H ' HG23 ' A' ' 19' ' ' THR . 61.1 tp -73.62 -48.26 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.511 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.09 -48.36 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.893 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 36' ' ' CYS . 2.7 mm? -58.98 -44.27 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.07 -41.8 88.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.801 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.56 -41.02 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.316 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 62.0 m-85 -77.38 -34.34 54.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.446 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -66.78 -17.32 64.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.281 0.562 . . . . 0.0 110.731 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -77.65 -14.54 59.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.412 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.5 mm -105.37 -52.42 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.32 169.83 30.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.596 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.76 108.31 2.05 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.675 2.25 . . . . 0.0 111.491 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -74.23 136.1 42.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -99.06 -44.84 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.719 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -147.75 154.46 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.709 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' HD21 ' A' ' 24' ' ' LEU . 5.7 p -154.81 118.99 4.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.131 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 12.4 mmmm -129.1 108.93 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.034 0.445 . . . . 0.0 111.546 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 ttt -87.45 108.59 19.08 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.2 0.524 . . . . 0.0 110.787 -174.473 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo . . . . . 0 N--CA 1.464 -0.241 0 CA-C-O 121.044 0.352 . . . . 0.0 112.132 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.479 ' HA ' HD23 ' A' ' 14' ' ' LEU . 19.9 p90 -139.78 164.52 29.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -133.22 140.53 47.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.78 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -103.62 108.75 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.939 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 9' ' ' LEU . 12.3 m -113.43 122.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.11 0.481 . . . . 0.0 110.583 177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -108.4 137.01 47.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 65.0 m-85 -106.02 159.68 15.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 110.675 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -80.47 -11.25 59.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.03 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.593 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -139.99 110.23 6.57 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.838 -169.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -64.65 -34.31 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.392 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.593 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.6 ttt180 -69.11 -26.3 64.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.34 0.59 . . . . 0.0 110.545 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 55' ' ' GLU . 22.2 m80 -83.68 -35.02 24.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.426 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.58 -34.9 73.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.226 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.86 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.576 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.08 62.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.175 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.59 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.718 HD12 HG12 ' A' ' 78' ' ' VAL . 4.8 tp -54.87 -61.4 2.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.499 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.23 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.022 -174.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.25 -23.34 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.559 ' HB2' HG21 ' A' ' 78' ' ' VAL . 22.2 mmt -113.86 -24.46 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.0 t30 -66.01 124.76 23.42 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.125 -0.359 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.79 10.09 84.63 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.101 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 76' ' ' VAL . 19.0 ttt180 -80.51 135.13 36.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -89.45 118.51 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.141 0.496 . . . . 0.0 109.95 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 72' ' ' MET . 65.7 mt -126.47 125.51 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.067 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG2' HG22 ' A' ' 71' ' ' ILE . 26.5 mmt 66.71 -77.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 110.932 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.26 22.51 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.087 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.946 ' HD2' ' HB2' ' A' ' 15' ' ' SER . 59.6 mttm -139.37 155.27 47.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.764 0.316 . . . . 0.0 110.986 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.66 109.99 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.472 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . 17.0 m -79.02 163.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 111.475 -174.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 21.6 mmmt -136.12 116.99 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.166 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.718 HG12 HD12 ' A' ' 63' ' ' LEU . 43.9 t -102.04 111.75 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.952 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -113.84 166.78 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.79 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -84.07 116.11 22.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.341 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.9 ptt? . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 121.5 0.666 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 66.1 Cg_endo -76.9 -44.81 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.941 2.427 . . . . 0.0 114.792 -172.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 42.0 ttmt 79.72 -26.12 0.17 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 110.873 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -80.05 137.48 36.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.63 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.2 mm? -105.07 139.09 40.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.229 0.538 . . . . 0.0 110.849 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.753 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 84.4 t80 -104.9 100.7 10.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.512 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.682 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.5 t -100.15 113.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 179.01 19.94 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.35 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 m120 67.74 47.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.478 0.711 . . . . 0.0 111.232 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 49' ' ' CYS . 48.6 mt -83.84 149.7 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.232 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -124.38 170.63 10.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -71.26 -12.42 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.432 0.634 . . . . 0.0 109.627 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -81.24 -14.43 57.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.055 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.425 HG11 HD22 ' A' ' 14' ' ' LEU . 58.3 t -93.02 122.65 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -100.74 144.44 29.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.858 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG3' HD23 ' A' ' 24' ' ' LEU . 5.3 tp10 -55.38 -40.72 71.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.905 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.74 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.1 tp -75.8 -50.36 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -57.0 -50.45 76.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.777 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD23 ' HG3' ' A' ' 20' ' ' GLU . 3.2 mm? -53.85 -49.11 69.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.899 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.32 -42.52 99.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.822 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 36.7 mt -59.24 -49.62 77.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.86 0.362 . . . . 0.0 111.381 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 83.9 m-85 -74.83 -30.51 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.598 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -63.85 -29.15 70.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 110.599 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.59 -32.95 74.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' HA ' ' A' ' 62' ' ' ALA . 38.2 mm -86.1 -52.95 11.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.9 169.45 28.0 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.585 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.08 112.35 3.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.031 2.488 . . . . 0.0 111.402 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 p -79.46 127.31 31.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.75 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 38.2 ttpt -82.16 -34.51 29.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.935 -177.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -171.86 147.75 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.414 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.1 m -136.93 132.12 33.99 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.718 ' HE3' HD11 ' A' ' 39' ' ' ILE . 37.5 ttpt -131.1 145.96 52.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -109.98 126.02 53.49 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.695 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.718 HD11 ' HE3' ' A' ' 37' ' ' LYS . 23.7 mm . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 120.893 0.378 . . . . 0.0 110.156 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.494 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 4.5 Cg_exo . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.785 0.244 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.04 161.56 38.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.13 0.49 . . . . 0.0 111.472 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.573 ' HB2' HD11 ' A' ' 14' ' ' LEU . 40.7 t -124.61 138.76 54.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.418 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -103.62 111.93 24.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.155 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 9' ' ' LEU . 13.4 m -110.08 117.92 55.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.533 0.683 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.541 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 3.7 mm-40 -96.9 137.97 35.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.16 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 64.1 m-85 -114.79 167.54 10.68 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -86.01 -37.62 18.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.69 136.0 45.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.673 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 17.3 t60 -76.7 -30.56 56.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.666 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.06 -40.62 82.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 111.654 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -72.6 -18.46 61.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.116 0.484 . . . . 0.0 110.186 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.02 -34.56 78.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.23 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.22 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.9 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.59 84.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.505 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HA ' HG13 ' A' ' 30' ' ' ILE . . . -66.3 -37.98 86.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.394 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.817 HD12 HG12 ' A' ' 78' ' ' VAL . 5.5 tp -54.28 -61.4 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.474 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 -22.54 65.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.813 -172.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.32 -15.39 29.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.521 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.44 -35.47 5.26 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.342 -173.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.683 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 36.5 p30 -70.68 146.95 49.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 111.665 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.47 9.64 84.55 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.263 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' O ' HG22 ' A' ' 76' ' ' VAL . 33.5 ttt180 -94.85 132.28 39.83 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -91.64 118.12 30.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.042 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.699 HG22 ' HG2' ' A' ' 72' ' ' MET . 68.4 mt -126.83 125.98 67.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.699 ' HG2' HG22 ' A' ' 71' ' ' ILE . 24.5 mmt 72.99 -50.45 0.71 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 111.288 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.01 26.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -142.22 139.94 32.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 110.25 18.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 69' ' ' ARG . 19.2 m -76.0 160.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.309 0.576 . . . . 0.0 111.931 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 mmtt -127.79 132.82 49.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.206 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.817 HG12 HD12 ' A' ' 63' ' ' LEU . 20.8 t -129.22 104.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -118.38 177.2 4.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.499 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -89.96 115.43 27.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.824 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.753 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.549 ' HD2' ' HE1' ' A' ' 56' ' ' HIS . 73.3 Cg_exo -51.96 -53.94 6.13 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.265 2.643 . . . . 0.0 113.07 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 73.66 -45.91 0.62 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.778 0.674 . . . . 0.0 111.297 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.504 HG23 ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -85.96 131.04 34.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 178.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.625 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -97.65 129.85 44.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 0.0 110.635 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 51.4 t80 -99.22 104.01 15.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.542 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 14.3 t -119.09 119.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.8 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.47 122.56 6.13 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.432 -0.889 . . . . 0.0 111.563 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 3.6 p-10 175.71 5.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 81.9 mt -66.11 142.47 57.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 0.0 111.383 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.497 ' OG ' HG23 ' A' ' 18' ' ' VAL . 90.1 p -129.25 -179.18 4.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.164 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 3.2 ppt_? -71.95 -12.85 61.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 110.668 175.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -91.2 -37.72 13.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.497 HG23 ' OG ' ' A' ' 15' ' ' SER . 93.7 t -61.19 138.65 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -121.11 154.43 36.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.47 -44.44 80.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.971 0.415 . . . . 0.0 110.685 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.12 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.977 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.3 tp -82.83 -52.86 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 0.0 110.114 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -53.59 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.12 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.8 -32.29 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.318 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.95 -45.32 67.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 38.0 mt -63.29 -37.46 87.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.985 -178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 65.9 m-85 -81.64 -29.3 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.218 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 t -65.63 -23.45 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 0.0 110.057 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.21 -31.66 71.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.064 174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.17 -52.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.3 158.99 27.9 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.117 -1.04 . . . . 0.0 113.152 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 12.6 Cg_exo -70.6 129.51 16.83 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.851 2.367 . . . . 0.0 111.744 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.73 133.52 34.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.621 ' HD3' ' CE1' ' A' ' 54' ' ' HIS . 26.8 tptp -88.87 -44.11 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.634 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -163.09 146.0 10.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.941 176.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.9 m -135.6 138.4 42.9 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.091 0.472 . . . . 0.0 110.549 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -124.11 147.8 47.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.125 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -132.47 107.89 8.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.527 0.68 . . . . 0.0 109.908 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.805 -176.444 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.755 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 33.1 Cg_exo . . . . . 0 C--O 1.237 0.447 0 CA-C-O 121.206 0.419 . . . . 0.0 112.239 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -127.96 155.16 44.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.544 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -119.97 140.75 50.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.792 -175.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.428 ' CE1' ' HD2' ' A' ' 10' ' ' TYR . 73.9 m-85 -107.64 106.33 16.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.109 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.623 HG23 ' HB2' ' A' ' 9' ' ' LEU . 12.4 m -106.91 121.45 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.902 0.382 . . . . 0.0 110.37 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HB2' HG23 ' A' ' 8' ' ' THR . 31.3 tt0 -119.66 122.94 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.126 0.489 . . . . 0.0 110.331 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 61.3 m-85 -94.69 171.8 8.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.056 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.625 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 90.3 m-70 -74.57 -32.53 62.43 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.654 0.74 . . . . 0.0 109.537 173.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' OE1' ' HB3' ' A' ' 57' ' ' ARG . 1.8 tm-20 -118.1 120.24 37.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.911 -166.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.549 ' HE1' ' HD2' ' A' ' 6' ' ' PRO . 44.2 t60 -69.85 -33.77 72.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.368 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.449 ' HB3' ' OE1' ' A' ' 55' ' ' GLU . 14.4 ttm180 -70.39 -23.65 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.282 0.563 . . . . 0.0 110.601 -175.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -81.82 -31.04 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.374 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.625 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.41 -32.11 72.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.54 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.495 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -62.18 -50.05 73.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.744 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.03 87.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.16 85.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HA ' HG11 ' A' ' 78' ' ' VAL . 8.1 tt -65.39 -49.81 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.6 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.061 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.36 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 91.4 mmm -86.71 -26.65 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -65.01 123.47 19.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.149 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.01 66.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.666 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' ' 76' ' ' VAL . 14.1 ttt180 -83.2 148.61 27.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.854 0.359 . . . . 0.0 110.175 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -101.56 118.51 37.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.64 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.1 mt -136.02 126.16 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.161 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.4 mmm 62.49 25.72 15.32 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.756 0.422 . . . . 0.0 111.423 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.8 1.17 77.33 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.966 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -100.89 136.08 41.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.671 0.388 . . . . 0.0 110.18 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.88 112.6 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.222 0.534 . . . . 0.0 110.207 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 4.0 m -83.12 145.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.193 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.1 mttp -129.21 124.1 33.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.718 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 11' ' ' VAL . 20.7 t -112.44 113.7 44.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.819 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -120.41 158.33 27.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.681 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.495 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.8 m95 -74.59 117.49 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 -178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.957 0.408 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.706 ' HB2' ' HE3' ' A' ' 80' ' ' TRP . 99.8 Cg_exo -42.07 -48.7 6.2 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 114.439 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.9 tttt 74.68 -46.58 0.61 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.779 0.674 . . . . 0.0 111.776 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -88.7 139.71 30.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.867 HD12 HD23 ' A' ' 63' ' ' LEU . 2.7 mm? -100.71 133.38 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.886 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 59.3 t80 -96.18 113.81 25.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.826 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.793 HG22 HG22 ' A' ' 78' ' ' VAL . 86.1 t -106.22 121.19 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.905 0.383 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.18 167.48 12.95 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.924 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 95.1 m-20 71.53 59.77 0.16 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.984 0.461 . . . . 0.0 111.125 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 23.0 mt -84.45 142.82 29.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.444 0.64 . . . . 0.0 110.089 172.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -118.88 161.05 20.82 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.905 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -59.39 -30.68 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 110.15 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.92 14.26 2.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.609 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.01 108.75 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.132 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 22' ' ' LEU . 3.7 t -84.06 144.18 29.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.158 173.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.19 -32.63 73.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.454 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.46 97.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.502 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 26' ' ' LEU . 55.2 tp -68.48 -51.06 47.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.645 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -57.25 -48.58 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.182 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.4 mm? -66.11 -28.8 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.538 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.57 -45.98 77.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 109.847 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -54.72 -41.61 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 64.7 m-85 -80.95 -37.05 30.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.482 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.95 -27.4 69.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.345 . . . . 0.0 110.859 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.73 -22.03 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.364 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.43 -50.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 58' ' ' HIS . . . -154.03 165.4 31.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.57 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.12 118.94 5.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.043 2.495 . . . . 0.0 112.006 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.15 142.94 32.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.364 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 52' ' ' GLU . 38.2 tttm -91.59 -52.75 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.502 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -165.36 151.4 9.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.286 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.4 p -127.34 124.71 39.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -106.95 130.61 54.58 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.0 mmm -110.13 99.2 8.31 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.026 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp . . . . . 0 C--N 1.319 -0.728 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.612 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 47.2 Cg_exo . . . . . 0 C--O 1.235 0.349 0 N-CA-C 113.12 0.392 . . . . 0.0 113.12 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -144.69 179.9 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.785 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.603 ' HB2' HD11 ' A' ' 14' ' ' LEU . 50.6 t -145.18 148.69 33.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.407 ' HD2' HD11 ' A' ' 39' ' ' ILE . 58.4 m-85 -120.48 114.6 22.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.181 176.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 127.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.064 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 34' ' ' LYS . 43.4 mt-10 -106.21 139.8 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 27.8 m-85 -108.92 155.47 20.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.907 174.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -84.65 -7.29 59.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.357 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -136.68 122.39 19.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.186 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -62.9 -33.61 75.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.438 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -66.49 -36.46 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' HB3' ' HA3' ' A' ' 31' ' ' GLY . 11.3 m170 -79.45 -27.93 41.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.3 -37.94 89.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.103 174.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . . . -64.84 -41.96 95.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.343 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.03 84.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.24 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.867 HD23 HD12 ' A' ' 9' ' ' LEU . 2.6 tm? -52.13 -56.81 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.845 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -23.45 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -173.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.15 -29.0 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.432 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -93.09 -40.03 10.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.622 0.249 . . . . 0.0 110.45 -175.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.481 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.4 t30 -63.36 125.83 25.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 -176.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.99 4.38 75.08 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.887 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 76' ' ' VAL . 52.2 ttt180 -91.23 141.23 29.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.835 0.35 . . . . 0.0 110.222 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.49 120.41 25.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 111.261 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -137.37 109.45 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.272 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 mmt 68.7 48.1 0.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.964 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.11 99.73 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.058 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -157.8 156.27 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.064 0.432 . . . . 0.0 110.095 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.9 113.63 25.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 69' ' ' ARG . 17.2 m -77.92 161.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.716 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttm -128.73 120.79 27.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.793 HG22 HG22 ' A' ' 11' ' ' VAL . 41.4 t -129.99 108.49 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.727 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.634 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 33.1 p30 -126.94 173.43 9.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.605 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.706 ' HE3' ' HB2' ' A' ' 6' ' ' PRO . 89.1 m95 -79.31 110.35 14.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.082 0.468 . . . . 0.0 110.655 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.886 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.858 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' A' ' 80' ' ' TRP . 83.0 Cg_exo -46.68 -41.73 24.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.855 3.036 . . . . 0.0 113.902 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 75.54 -47.25 0.59 Allowed 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.713 0.633 . . . . 0.0 111.975 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -90.77 140.88 29.37 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.632 HD12 HD23 ' A' ' 63' ' ' LEU . 2.9 mm? -98.29 131.6 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.825 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 70.1 t80 -99.92 101.24 12.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.505 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.722 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 98.3 t -105.55 112.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -113.44 -175.98 19.28 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.644 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.37 43.21 2.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 110.915 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 57.9 mt -72.96 147.25 45.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.273 0.558 . . . . 0.0 110.366 175.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.749 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.7 t -110.23 155.75 21.59 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.04 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 10.3 mpt_? -71.95 -9.5 58.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.639 -177.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.05 -4.86 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.913 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.749 HG23 ' HB3' ' A' ' 15' ' ' SER . 80.0 t -84.7 125.24 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.8 t -100.13 147.59 25.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.904 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HG2' HD23 ' A' ' 24' ' ' LEU . 29.4 tt0 -62.46 -40.77 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.29 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.899 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' H ' HG23 ' A' ' 19' ' ' THR . 52.5 tp -67.98 -48.99 64.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.733 -176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.73 -51.16 73.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.254 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -64.64 -33.97 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.473 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.65 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.68 -36.2 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 52.3 m-85 -76.59 -37.66 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.79 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t -62.72 -25.72 68.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -66.18 -26.94 67.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.751 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.9 mm -94.08 -48.92 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -154.56 179.51 30.63 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.377 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -87.0 124.85 2.19 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.964 2.443 . . . . 0.0 112.159 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.34 123.18 47.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.623 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 pttp -77.92 -27.32 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.016 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 34' ' ' LYS . 3.8 p-10 -169.71 155.11 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.035 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HB3' HD11 ' A' ' 24' ' ' LEU . 30.3 p -128.57 149.67 50.52 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -128.27 106.94 9.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.219 0.533 . . . . 0.0 109.889 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.5 ttp -103.73 108.18 19.37 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.877 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.434 HG13 ' CE2' ' A' ' 48' ' ' TYR . 32.4 mm . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.272 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.657 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.1 Cg_exo . . . . . 0 N--CA 1.462 -0.378 0 CA-C-O 120.864 0.277 . . . . 0.0 112.145 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 18.6 p90 -139.16 161.01 38.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.028 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB2' HD11 ' A' ' 14' ' ' LEU . 49.5 t -135.73 135.22 39.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.44 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -98.59 121.13 40.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.339 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 9' ' ' LEU . 12.6 m -113.49 120.7 64.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 175.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -107.27 114.7 28.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 62.5 m-85 -92.26 -172.06 3.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.538 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.623 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 97.6 m-70 -106.82 -45.03 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.005 0.431 . . . . 0.0 110.196 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -100.68 120.75 40.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.219 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.31 -29.83 64.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.715 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.63 -22.03 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -80.63 -33.82 35.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.28 90.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.341 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.008 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.84 -38.48 79.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.899 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -36.86 76.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.801 HD22 HG12 ' A' ' 78' ' ' VAL . 2.1 tm? -53.94 -60.43 3.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.469 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.86 62.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.4 -35.63 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.704 0.288 . . . . 0.0 111.626 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 11.9 tpt -92.03 -29.15 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.532 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.7 t30 -67.25 123.7 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.7 10.3 67.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -93.96 128.27 40.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' ' HZ2' ' A' ' 70' ' ' LYS . 1.9 ttmp? -94.5 107.11 19.09 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.664 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.412 HG22 ' HG2' ' A' ' 72' ' ' MET . 2.6 mp -100.94 123.04 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.581 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.412 ' HG2' HG22 ' A' ' 71' ' ' ILE . 96.9 mmm 69.46 -64.35 0.34 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.027 0.829 . . . . 0.0 112.021 177.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.64 53.08 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HB2' ' HZ2' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -157.57 142.16 16.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.04 110.0 15.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.29 168.55 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.149 0.5 . . . . 0.0 111.606 -175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.722 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 52.6 mtmt -131.01 124.93 31.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.456 174.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.801 HG12 HD22 ' A' ' 63' ' ' LEU . 50.3 t -129.05 104.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.001 0.429 . . . . 0.0 109.846 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -125.88 173.73 8.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.4 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.534 ' HB3' ' HG2' ' A' ' 6' ' ' PRO . 86.3 m95 -82.9 120.1 25.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.633 0.254 . . . . 0.0 110.854 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.917 0.389 . . . . 0.0 109.999 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.2 mtt . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.455 0.169 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -58.39 103.11 0.15 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.375 2.05 . . . . 0.0 111.46 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -88.38 -3.56 58.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.109 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.8 m -107.64 137.3 45.9 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.27 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.6 mm? -104.54 131.95 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.841 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.1 t80 -93.24 100.31 12.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.871 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 78' ' ' VAL . 50.2 t -102.46 114.63 42.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.834 0.349 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -103.2 175.43 23.84 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.472 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 6.1 m-20 72.73 59.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.165 0.507 . . . . 0.0 111.289 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 49' ' ' CYS . 61.3 mt -86.66 178.72 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.321 0.581 . . . . 0.0 110.973 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.837 ' HB3' HG23 ' A' ' 18' ' ' VAL . 30.7 t -149.3 160.03 43.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' H ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.95 -9.82 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.174 0.511 . . . . 0.0 109.724 175.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -98.56 2.21 47.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.663 0.744 . . . . 0.0 109.898 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.837 HG23 ' HB3' ' A' ' 15' ' ' SER . 82.1 t -104.15 110.95 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.393 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -91.28 147.24 23.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 33.5 tt0 -59.83 -35.83 75.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.366 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.06 73.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.047 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.1 tp -74.9 -53.28 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -53.79 -52.78 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -63.51 -41.0 98.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.426 -177.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -64.1 -40.49 96.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.624 0.25 . . . . 0.0 110.675 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 39.3 mt -60.83 -45.0 96.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.62 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 54.3 m-85 -71.31 -30.48 66.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -64.33 -29.96 71.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.545 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 -26.57 65.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.91 -53.39 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.423 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.93 157.33 27.22 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.427 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.62 116.05 3.08 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.566 2.177 . . . . 0.0 111.709 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.2 m -84.35 145.02 28.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -112.83 -39.66 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.662 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . 4.3 t-20 -146.29 151.64 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.613 0.244 . . . . 0.0 110.421 -176.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.574 ' HB3' HD11 ' A' ' 24' ' ' LEU . 23.8 p -141.46 130.43 23.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -141.28 112.91 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.514 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 15.1 ptp -85.72 142.59 28.89 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 171.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.341 179.759 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo . . . . . 0 N--CA 1.473 0.293 0 N-CA-C 113.854 0.675 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -132.25 165.84 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.705 ' HB2' HD11 ' A' ' 14' ' ' LEU . 47.7 t -136.71 146.15 45.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.913 0.387 . . . . 0.0 110.993 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.82 116.14 31.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.239 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.4 m -114.39 121.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.429 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.0 tt0 -105.23 133.01 50.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.717 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 10.5 m-85 -102.46 157.63 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -80.21 -31.83 38.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 170.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.447 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 2.3 tm-20 -115.47 111.47 20.81 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.359 -170.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -71.31 -34.25 70.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.757 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 12.2 tpt180 -64.12 -34.38 77.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.468 . . . . 0.0 110.502 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -77.14 -28.02 54.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.346 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.709 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -63.58 -29.53 70.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.381 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.67 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.772 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.44 96.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.96 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.596 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -55.59 -54.47 43.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.339 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.95 75.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.1 -40.29 31.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -86.69 -20.25 28.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.02 115.98 8.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.427 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 10.13 58.65 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.529 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -72.88 155.39 39.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -105.88 101.16 10.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.507 HD12 HG11 ' A' ' 76' ' ' VAL . 73.1 mt -118.86 116.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.2 mmt 59.62 34.82 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.816 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.19 84.81 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.819 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -123.48 137.96 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.02 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.133 0.492 . . . . 0.0 110.516 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.507 HG11 HD12 ' A' ' 71' ' ' ILE . 17.4 m -78.99 151.04 5.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.74 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -131.05 121.62 25.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.545 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 11' ' ' VAL . 21.3 t -112.91 129.27 68.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.577 -174.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -134.36 163.08 30.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.505 ' CE2' ' HG ' ' A' ' 63' ' ' LEU . 94.3 m95 -72.67 108.5 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.277 . . . . 0.0 110.848 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 0.0 110.316 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.3 mtp . . . . . 0 CA--C 1.527 0.075 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.785 ' HG3' ' HB3' ' A' ' 80' ' ' TRP . 29.0 Cg_endo -63.11 -47.25 8.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 113.616 -175.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 48.7 mtpt 73.17 -44.29 0.59 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.392 0.677 . . . . 0.0 111.826 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 m -80.15 125.89 30.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.596 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.662 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.4 mm? -92.33 132.53 36.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.976 0.417 . . . . 0.0 110.191 176.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.635 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 33.2 t80 -99.48 109.31 21.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.716 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 46.2 t -111.02 122.07 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.76 178.42 16.94 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.714 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m120 70.92 30.15 2.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.171 0.589 . . . . 0.0 111.545 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.6 mm? -70.55 167.8 17.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.688 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' A' ' 74' ' ' LYS . 49.9 m -147.48 150.65 34.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -6.92 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.6 -24.06 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.209 172.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.71 125.44 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.182 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 t -84.82 143.57 29.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.548 0.689 . . . . 0.0 110.553 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.08 -24.87 65.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.348 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.62 94.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.211 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 59.4 tp -69.79 -50.74 40.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.45 -52.65 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.042 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 28' ' ' SER . 4.3 mm? -61.09 -41.67 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.75 -45.44 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.161 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 32.9 mt -57.58 -37.71 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.821 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' HZ ' HG21 ' A' ' 11' ' ' VAL . 36.8 m-85 -85.61 -27.52 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.949 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.5 t -67.3 -33.79 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -177.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -70.73 -19.3 62.75 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.133 0.492 . . . . 0.0 110.652 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.6 mm -89.26 -45.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.711 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 58' ' ' HIS . . . -168.79 163.98 37.66 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.787 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.613 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 23.5 Cg_exo -64.83 113.82 2.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.45 2.1 . . . . 0.0 112.035 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.32 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.141 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 20.8 tptp -88.16 -32.14 18.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.77 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 95.9 m-20 -127.49 137.89 52.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.876 0.369 . . . . 0.0 110.689 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' HB3' HD11 ' A' ' 24' ' ' LEU . 4.2 p -125.33 105.02 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.98 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.725 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.3 mmtp -102.9 107.15 17.88 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.232 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 ttp -107.57 99.29 8.8 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mm . . . . . 0 C--N 1.318 -0.796 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.231 -174.545 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--O 1.233 0.257 0 CA-C-O 120.886 0.286 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.541 ' HA ' HD23 ' A' ' 14' ' ' LEU . 15.8 p90 -139.63 161.63 37.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 49.9 t -128.9 136.6 50.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.059 0.457 . . . . 0.0 111.512 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.725 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.1 m-85 -107.73 122.5 46.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.049 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.4 122.83 70.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.898 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -87.44 115.11 24.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 177.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.509 ' CE2' HD23 ' A' ' 9' ' ' LEU . 21.5 m-85 -98.48 130.77 45.08 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.613 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 84.4 m-70 -60.76 -31.6 70.93 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.328 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.81 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.541 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -77.73 -27.65 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.818 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -47.35 80.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.71 0.29 . . . . 0.0 111.465 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.58 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 3.3 p-80 -76.9 -9.7 58.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.112 0.482 . . . . 0.0 110.403 -176.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.662 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.16 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.353 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.67 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.549 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.67 84.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.877 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.69 -36.46 62.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.606 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.617 HD12 HG12 ' A' ' 78' ' ' VAL . 7.6 tp -56.19 -57.7 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.058 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.08 -15.2 62.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.155 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.3 6.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.756 0.312 . . . . 0.0 111.481 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -88.49 -23.58 23.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.493 ' HA ' HG23 ' A' ' 78' ' ' VAL . 55.6 t30 -62.16 120.96 11.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.75 10.89 75.23 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.013 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 76' ' ' VAL . 65.0 ttt180 -88.22 140.61 29.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.051 0.453 . . . . 0.0 110.599 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.0 110.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.502 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.55 HG22 ' HG2' ' A' ' 72' ' ' MET . 65.6 mt -120.71 123.92 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.672 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.55 ' HG2' HG22 ' A' ' 71' ' ' ILE . 23.6 mmt 68.41 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.255 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.05 20.13 0.75 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HG3' ' OG ' ' A' ' 15' ' ' SER . 4.5 mmmp? -141.4 158.31 44.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.262 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -94.19 120.2 34.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.333 173.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 71' ' ' ILE . 23.0 m -85.62 152.63 3.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.023 0.439 . . . . 0.0 110.53 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.3 mttm -130.27 128.53 41.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.964 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.617 HG12 HD12 ' A' ' 63' ' ' LEU . 10.3 t -117.33 123.31 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.43 -177.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -132.02 165.26 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.507 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.785 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 42.8 m0 -80.56 112.61 18.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.424 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.514 0.674 . . . . 0.0 109.694 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 46.3 Cg_endo -71.92 90.6 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.065 1.843 . . . . 0.0 111.122 169.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -89.21 -7.65 55.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.635 0.731 . . . . 0.0 109.864 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -121.95 134.24 54.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.531 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 63' ' ' LEU . 3.0 mm? -100.14 139.79 35.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.86 0.362 . . . . 0.0 110.492 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.697 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 33.1 t80 -103.44 105.64 15.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.793 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.74 HG22 HG22 ' A' ' 78' ' ' VAL . 60.7 t -105.18 112.74 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.96 170.61 20.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.426 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 73.03 40.53 0.55 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.402 0.681 . . . . 0.0 111.645 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 49' ' ' CYS . 57.9 mt -79.62 145.65 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.14 0.495 . . . . 0.0 109.921 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' VAL . 48.2 t -94.7 167.7 11.29 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.443 176.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.667 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 7.2 mmm180 -80.5 -6.74 58.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.517 0.675 . . . . 0.0 109.339 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.76 -1.26 46.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.425 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 15' ' ' SER . 88.3 t -85.33 126.74 40.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -98.15 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.934 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.56 -41.32 84.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.056 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.95 69.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.875 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.7 tt -69.68 -49.87 49.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.921 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.43 HD11 HG11 ' A' ' 18' ' ' VAL . 51.4 mm -54.27 -58.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.737 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 36' ' ' CYS . 6.6 tp -56.89 -42.34 79.68 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.626 -174.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.27 -42.49 96.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.142 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 22.2 mt -60.82 -38.41 85.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.576 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 80.6 m-85 -82.87 -32.98 27.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.2 m -65.28 -22.4 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.62 -34.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.178 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.2 mm -92.87 -53.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.911 -176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.29 160.39 28.17 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.943 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.2 112.34 2.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.944 2.43 . . . . 0.0 111.74 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 m -95.32 140.18 30.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.308 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 52.9 tptt -108.06 -43.68 4.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.368 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -129.03 140.68 51.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.907 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 24' ' ' LEU . 49.2 t -128.26 104.57 7.81 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.239 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 27.1 tttp -93.86 141.39 28.56 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.809 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 84.5 mtp -124.3 104.11 8.61 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.757 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.444 HD11 ' HD3' ' A' ' 37' ' ' LYS . 38.2 mm . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.277 -178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo . . . . . 0 C--O 1.234 0.321 0 N-CA-C 114.206 0.81 . . . . 0.0 114.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 11.3 p90 -130.9 151.49 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.391 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.644 ' HB2' HD11 ' A' ' 14' ' ' LEU . 46.1 t -117.48 143.27 46.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.391 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.592 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 76.5 m-85 -111.17 109.74 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.742 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 m -104.91 125.93 59.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -106.3 123.13 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 15.9 m-85 -96.61 165.36 12.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 34' ' ' LYS . 93.2 m-70 -89.02 -7.78 55.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.214 171.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -143.19 112.31 6.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.649 -169.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.24 -33.4 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.766 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 76.8 mtt180 -70.15 -31.98 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 0.0 110.298 -176.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.85 -34.73 39.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.842 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.81 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.38 -40.37 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.597 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.81 90.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.04 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.34 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.601 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.658 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.825 HD23 HD12 ' A' ' 9' ' ' LEU . 3.2 tm? -54.01 -58.52 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.214 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.7 59.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.98 -35.12 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 26' ' ' LEU . 31.4 tpp -97.08 -24.06 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.59 111.16 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.425 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.99 6.21 30.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.389 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -76.81 157.32 31.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 82.6 tttt -117.48 118.22 31.58 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.912 0.386 . . . . 0.0 110.164 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.466 HG22 ' HG2' ' A' ' 72' ' ' MET . 72.1 mt -126.84 118.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.636 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.466 ' HG2' HG22 ' A' ' 71' ' ' ILE . 22.2 mmt 61.21 35.31 18.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.253 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.02 -18.58 57.17 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.375 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 15' ' ' SER . 29.8 mtpp -110.19 135.14 51.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.019 0.409 . . . . 0.0 111.314 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 54.3 mt-10 -84.88 119.43 25.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.004 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 HD12 ' A' ' 71' ' ' ILE . 19.0 m -76.73 155.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.233 -175.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -130.78 111.29 12.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.74 HG22 HG22 ' A' ' 11' ' ' VAL . 11.7 t -106.32 116.63 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.149 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -125.31 168.31 13.7 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.294 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 6' ' ' PRO . 5.1 m0 -68.31 123.29 20.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 78.3 mtp . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 8' ' ' THR . 9.7 Cg_endo -55.87 -55.5 2.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.502 2.135 . . . . 0.0 112.901 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 71.25 -14.94 0.44 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.135 0.574 . . . . 0.0 111.493 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.3 m -109.34 134.01 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.014 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -103.29 134.57 46.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.069 0.462 . . . . 0.0 110.338 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.908 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.6 t80 -95.61 109.42 21.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.693 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.7 t -106.84 124.99 62.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.761 176.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.34 178.7 16.39 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.103 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.96 34.76 6.89 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.981 0.512 . . . . 0.0 111.027 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -68.1 148.26 51.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.798 ' HB2' HG23 ' A' ' 18' ' ' VAL . 6.2 m -114.18 155.0 26.87 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.537 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.0 mpt_? -75.85 -16.14 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -93.37 4.66 53.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.481 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.798 HG23 ' HB2' ' A' ' 15' ' ' SER . 74.7 t -89.59 129.26 40.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 174.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.573 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.1 t -96.65 148.06 23.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.772 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG2' HD23 ' A' ' 24' ' ' LEU . 31.1 tt0 -58.38 -36.93 74.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.167 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.63 69.79 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 62.2 tp -71.73 -55.53 7.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.46 -47.51 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.909 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 20' ' ' GLU . 3.4 mm? -56.92 -45.81 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.26 -41.25 85.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.138 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 33.9 mt -58.16 -43.77 87.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 75.8 m-85 -82.92 -28.91 29.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.4 t -61.24 -31.18 70.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.111 0.481 . . . . 0.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.37 -28.0 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.613 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.46 -50.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.54 153.24 24.67 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.034 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.73 ' HD2' ' HG3' ' A' ' 55' ' ' GLU . 66.9 Cg_exo -53.37 113.82 1.47 Allowed 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.031 2.487 . . . . 0.0 112.223 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.94 136.05 37.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.775 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -88.87 -49.29 6.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.557 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -164.99 150.36 9.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' A' ' 51' ' ' VAL . 61.7 m -131.17 111.38 11.9 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 13.4 mmmm -97.67 107.0 19.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.371 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -90.05 100.08 12.97 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.8 mm . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.258 -177.656 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.461 -0.419 0 CA-C-O 120.839 0.266 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.0 p90 -137.19 152.11 49.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.006 0.431 . . . . 0.0 111.084 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 46.7 t -125.02 139.21 54.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.013 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.3 m-85 -108.14 106.67 16.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.984 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 9' ' ' LEU . 22.4 m -104.37 124.13 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.164 0.507 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.28 143.45 32.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.358 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 44.6 m-85 -116.73 155.12 29.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -87.48 -8.13 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.73 ' HG3' ' HD2' ' A' ' 32' ' ' PRO . 36.6 mm-40 -118.08 93.53 4.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.673 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -65.35 -29.31 70.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -68.37 -37.4 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.507 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 55' ' ' GLU . 17.3 m80 -84.36 -26.08 28.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -56.53 -38.24 71.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.61 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.31 85.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.945 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 9.2 tt -61.59 -41.58 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.65 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.8 -30.8 17.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -96.72 -25.51 15.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -172.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.563 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.5 t30 -74.4 138.85 43.63 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.472 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.18 85.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.539 ' HE ' ' HA ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -98.13 159.6 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -176.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 28.2 ttpt -97.38 102.24 13.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.55 HD12 HG11 ' A' ' 76' ' ' VAL . 65.5 mt -101.5 120.5 51.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm 68.25 -71.42 0.11 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.956 0.785 . . . . 0.0 110.713 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.5 34.83 0.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' OG ' ' A' ' 15' ' ' SER . 2.1 tppt? -135.79 149.77 49.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -175.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.71 108.63 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.55 HG11 HD12 ' A' ' 71' ' ' ILE . 17.3 m -88.85 168.65 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.491 0.663 . . . . 0.0 112.351 -168.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.707 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 42.9 mmtm -133.58 122.39 23.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.068 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 45.1 t -126.36 98.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.03 165.26 14.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.919 -175.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -86.72 112.26 21.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.908 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.984 -175.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt . . . . . 0 C--O 1.233 0.223 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -63.93 -58.99 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.208 1.939 . . . . 0.0 111.483 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 32.9 mtmm 73.82 -9.18 1.26 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.16 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -92.89 120.05 32.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.471 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.449 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.4 mm? -95.37 128.32 42.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 42.0 t80 -95.2 117.33 30.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.419 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 78' ' ' VAL . 48.6 t -115.42 121.21 66.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.335 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -106.66 168.99 14.86 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.977 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 93.2 m-20 75.87 49.86 0.07 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.316 0.647 . . . . 0.0 112.088 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 49' ' ' CYS . 62.6 mt -88.84 177.59 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -148.59 167.31 25.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.608 ' HD2' ' H ' ' A' ' 16' ' ' ARG . 4.6 mpt_? -68.92 -23.9 64.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.5 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.31 -28.94 67.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.245 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.91 123.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.618 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.2 t -92.34 146.28 23.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.09 -35.11 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.367 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.89 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.963 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 67.7 tp -68.49 -53.53 22.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.278 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.7 -53.87 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -63.49 -37.64 88.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.285 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.29 -44.4 95.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 110.892 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 29.3 mt -62.98 -43.93 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 66' ' ' MET . 37.6 m-85 -68.96 -35.7 77.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.298 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -61.58 -30.11 70.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -69.28 -27.92 65.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.412 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.4 mm -90.59 -53.16 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.22 160.86 28.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.584 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 37.1 Cg_endo -66.25 116.16 3.88 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.631 2.221 . . . . 0.0 112.136 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.26 125.05 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.018 0.437 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -87.12 -40.37 14.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.267 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -159.89 153.19 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.8 p -126.28 147.08 49.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.153 0.502 . . . . 0.0 111.368 -176.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.82 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 42.7 mmtm -123.58 110.03 14.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.384 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.1 ttm -95.53 99.32 11.22 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.0 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 0.0 110.482 -177.155 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo . . . . . 0 C--O 1.234 0.28 0 N-CA-C 114.41 0.888 . . . . 0.0 114.41 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -132.06 166.29 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.718 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.84 ' HB2' HD11 ' A' ' 14' ' ' LEU . 49.6 t -135.85 141.74 44.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.115 0.483 . . . . 0.0 111.126 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.82 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 95.8 m-85 -109.99 139.15 45.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.32 112.87 8.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.492 0.663 . . . . 0.0 110.715 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.99 117.92 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.682 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.93 157.97 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.03 0.443 . . . . 0.0 111.059 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 90.0 m-70 -81.6 -14.43 56.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.745 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.532 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -141.89 124.33 15.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.839 -165.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.407 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 73.0 t60 -78.43 -34.81 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.994 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.532 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 42.1 ttm180 -67.64 -32.87 73.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.018 0.437 . . . . 0.0 110.582 -175.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -77.83 -31.09 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.342 0.592 . . . . 0.0 109.758 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.62 -23.08 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.629 177.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.03 -42.6 80.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.448 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.42 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.243 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -34.65 76.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.46 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -62.11 -43.95 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.19 27.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.208 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.19 -33.36 19.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 13.9 tpt -87.83 -40.12 14.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 -176.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.559 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 3.0 t-20 -74.65 110.33 8.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.68 -7.33 13.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.368 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -71.61 165.93 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -121.1 119.84 33.59 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.881 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.95 118.88 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.22 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.9 mmm 56.15 32.82 20.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.129 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.26 20.96 69.83 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.892 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -122.2 148.34 45.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.341 0.57 . . . . 0.0 110.407 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.59 109.22 7.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 76' ' ' VAL . 30.3 m -74.12 108.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.902 0.858 . . . . 0.0 109.884 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 16.0 mmtm -102.6 109.12 20.63 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 11' ' ' VAL . 26.1 t -115.85 117.03 54.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.646 -174.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.496 ' HA ' HD21 ' A' ' 63' ' ' LEU . 10.2 p30 -128.88 158.33 39.06 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -85.62 103.27 14.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.331 0.586 . . . . 0.0 110.469 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.691 -177.147 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.4 mtp . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.76 -45.94 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.505 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mttp 70.61 -54.89 0.64 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.895 0.878 . . . . 0.0 112.468 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 m -82.88 139.53 33.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 0.0 111.605 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.69 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.6 mm? -93.84 138.83 31.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 51.7 t80 -104.81 105.59 15.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.59 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.752 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 66.1 t -111.43 112.82 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.828 0.347 . . . . 0.0 110.73 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.58 -170.01 18.75 Favored Glycine 0 C--O 1.237 0.33 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.788 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 43.24 9.01 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.027 0.531 . . . . 0.0 111.205 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 30.6 mt -69.97 157.4 37.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.457 . . . . 0.0 111.28 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.0 m -131.57 158.85 39.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.26 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -41.47 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.614 0.245 . . . . 0.0 111.546 -175.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -78.48 -0.79 30.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.369 . . . . 0.0 111.191 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 15' ' ' SER . 86.8 t -88.12 109.03 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 22' ' ' LEU . 12.0 t -88.34 144.63 26.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 0.0 111.017 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.51 -39.87 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.822 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.86 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.784 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.692 ' H ' HG23 ' A' ' 19' ' ' THR . 67.5 tp -68.26 -52.72 30.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.838 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.26 -53.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.664 0.602 . . . . 0.0 111.334 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -62.32 -38.97 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.541 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.92 -43.91 94.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.16 -43.17 99.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 45.3 m-85 -70.34 -33.02 70.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -66.29 -24.69 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.727 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -73.9 -25.37 59.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.324 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mm -85.98 -51.32 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.89 -179.21 23.71 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.025 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 6.1 Cg_exo -78.55 107.54 2.3 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -73.41 121.22 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.313 0.578 . . . . 0.0 110.549 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -84.47 -57.34 3.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' HB3' ' OE2' ' A' ' 52' ' ' GLU . 53.7 t30 -153.72 159.38 41.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.817 -171.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.406 ' HB3' HD11 ' A' ' 24' ' ' LEU . 8.2 p -126.84 107.16 9.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.245 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 24.9 mmmt -89.09 104.82 17.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 47.3 ttm -100.26 107.87 19.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.348 -176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mm . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.276 -177.267 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 7.2 Cg_exo . . . . . 0 N--CA 1.459 -0.516 0 CA-C-O 120.732 0.222 . . . . 0.0 111.674 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -131.53 151.59 51.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.2 t -127.31 135.94 51.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.699 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.902 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 96.5 m-85 -95.02 122.19 37.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.721 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.79 113.17 41.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.795 0.331 . . . . 0.0 110.192 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 35' ' ' ASN . 42.7 mt-10 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 50.2 m-85 -109.31 155.68 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.494 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 97.1 m-70 -87.25 -7.02 58.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.73 120.68 19.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.075 -177.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.42 -35.3 79.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.377 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.65 -42.5 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 109.976 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.02 -38.96 92.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.618 171.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.85 89.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.959 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.06 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.83 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 78' ' ' VAL . 1.7 tm? -53.97 -51.07 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.072 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.214 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.36 -29.0 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -171.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.5 mmm -96.79 -32.99 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.679 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.4 t30 -72.77 111.33 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.007 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 -8.64 28.66 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.722 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -84.43 124.06 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -83.19 121.15 26.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.616 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.9 mt -129.23 135.06 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.499 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG2' HG22 ' A' ' 71' ' ' ILE . 21.6 mmt 69.68 -72.37 0.11 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 111.858 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 44.58 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -152.3 166.55 31.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -83.63 138.63 33.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -98.59 148.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.752 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.0 mttm -129.77 109.15 10.72 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.679 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 39.9 t -118.96 99.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -120.0 168.19 11.41 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.667 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.497 ' NE1' ' HG ' ' A' ' 63' ' ' LEU . 91.9 m95 -83.41 116.91 22.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.545 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.534 0.207 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.89 106.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 111.985 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -101.69 -3.04 28.92 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.435 0.636 . . . . 0.0 109.78 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.3 m -108.27 140.27 41.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.675 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.605 HD12 HD23 ' A' ' 63' ' ' LEU . 3.6 mm? -104.16 131.14 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.938 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 73.5 t80 -97.66 99.83 11.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.553 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 78' ' ' VAL . 34.6 t -97.35 118.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -116.89 -176.36 17.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER 68.5 25.61 6.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.831 0.453 . . . . 0.0 110.849 -179.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.32 158.51 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.604 0.716 . . . . 0.0 111.69 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -126.4 149.93 48.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.522 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -7.49 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.309 0.576 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.04 -9.22 58.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.511 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.9 t -102.5 125.75 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.035 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.5 t -90.88 149.01 22.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 111.471 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.02 -44.9 75.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.079 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.5 68.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.438 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 ' H ' HG23 ' A' ' 19' ' ' THR . 62.2 tp -67.93 -52.84 31.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.053 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 40.5 mm -57.71 -50.94 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.023 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' A' ' 36' ' ' CYS . 3.8 mm? -58.74 -45.41 89.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.397 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.61 -40.11 94.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.688 0.28 . . . . 0.0 111.116 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 37.4 mt -61.9 -46.35 89.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.538 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 68.8 m-85 -76.68 -32.83 58.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.274 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -61.12 -28.6 69.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.096 0.474 . . . . 0.0 110.625 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -42.17 99.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.658 176.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.17 -48.69 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.844 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.06 170.55 35.47 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.161 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.68 122.04 8.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.779 2.319 . . . . 0.0 112.091 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.9 p -77.62 136.61 38.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.464 0.649 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.31 -48.03 7.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -154.82 155.73 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.498 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.663 ' HB3' HD11 ' A' ' 24' ' ' LEU . 9.8 p -131.11 123.22 28.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 123.381 0.425 . . . . 0.0 110.409 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.777 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.3 mmmm -124.72 106.55 10.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.098 0.475 . . . . 0.0 110.723 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 53.3 tpp -92.14 105.78 17.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.06 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 mm . . . . . 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.513 . . . . 0.0 110.373 -178.337 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo . . . . . 0 N--CA 1.462 -0.335 0 CA-C-O 121.111 0.38 . . . . 0.0 112.254 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.87 154.23 42.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.611 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.528 ' SG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -129.81 134.96 47.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.777 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 66.8 m-85 -95.29 116.36 28.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 9' ' ' LEU . 4.0 p -118.59 111.89 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.308 0.575 . . . . 0.0 110.097 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -98.04 139.5 33.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.864 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 9' ' ' LEU . 28.3 m-85 -104.48 156.84 17.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.052 0.453 . . . . 0.0 110.529 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.45 -9.38 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.38 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.2 121.68 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.291 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -63.26 -29.47 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 57' ' ' ARG . 27.1 mtm105 -60.23 -43.4 96.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.47 -23.05 34.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.262 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.05 -39.32 89.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.883 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.32 91.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.241 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.9 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.669 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.605 HD23 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -54.06 -52.52 60.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.221 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.38 -20.35 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.63 -37.31 15.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -102.68 -15.62 16.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -73.02 111.03 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.655 0.264 . . . . 0.0 110.733 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.11 10.7 55.86 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.743 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 76' ' ' VAL . 61.0 ttt180 -82.88 144.66 29.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 111.116 -173.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -77.05 98.98 5.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.716 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.597 HD12 HG11 ' A' ' 76' ' ' VAL . 70.2 mt -120.49 121.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.555 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt 66.0 -78.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 111.846 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.78 27.31 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 23.9 tptm -140.52 143.71 35.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -175.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.39 108.58 8.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.597 HG11 HD12 ' A' ' 71' ' ' ILE . 24.7 m -79.1 131.11 35.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.7 mttp -123.63 121.07 34.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.062 0.458 . . . . 0.0 110.975 -176.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 11' ' ' VAL . 21.8 t -109.49 119.84 59.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.887 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -124.17 164.34 19.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.07 113.74 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.528 0.204 . . . . 0.0 110.729 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-O 121.018 0.437 . . . . 0.0 110.824 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.28 126.03 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.39 2.06 . . . . 0.0 112.618 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.22 -15.28 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.185 0.517 . . . . 0.0 110.08 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 52' ' ' GLU . 3.0 m -88.33 119.68 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.379 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.827 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -98.76 123.23 42.85 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.877 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 82.4 t80 -91.69 105.61 17.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 59.2 t -106.91 121.08 59.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.81 176.42 17.58 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.199 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 67.16 50.71 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.089 0.556 . . . . 0.0 111.011 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -84.5 148.23 26.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.168 0.508 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.771 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.6 t -97.81 151.53 20.11 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.681 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -9.11 57.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -174.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.36 4.87 31.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.287 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.771 HG23 ' HB3' ' A' ' 15' ' ' SER . 97.4 t -81.42 145.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.9 t -125.88 153.71 43.77 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.274 -177.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 35.5 tt0 -50.46 -47.21 56.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.631 0.372 . . . . 0.0 111.192 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.51 63.87 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.919 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' H ' HG23 ' A' ' 19' ' ' THR . 10.4 tt -77.55 -46.38 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.962 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 HD11 HG11 ' A' ' 18' ' ' VAL . 47.0 mm -60.59 -45.48 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.406 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.2 mm? -55.16 -43.95 74.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.948 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -68.68 -48.8 63.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -176.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.96 -47.08 84.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -176.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.53 -22.89 43.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.501 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 32.5 t -64.26 -31.24 72.36 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.018 0.437 . . . . 0.0 110.299 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.59 -30.02 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.587 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -89.43 -46.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 -178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.72 165.29 37.42 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.259 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 41.7 Cg_endo -68.18 122.81 9.9 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.563 2.176 . . . . 0.0 111.906 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.4 m -87.46 137.2 32.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.123 0.487 . . . . 0.0 111.054 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 64.3 tttp -94.17 -57.73 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.02 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.461 ' ND2' ' HG2' ' A' ' 34' ' ' LYS . 60.7 m-80 -137.0 127.07 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.06 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' SG ' HG23 ' A' ' 51' ' ' VAL . 57.5 m -122.6 104.65 9.49 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -101.7 137.65 39.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.832 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttt -113.14 101.84 9.82 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.009 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mm . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.586 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo . . . . . 0 C--O 1.235 0.332 0 CA-C-O 121.38 0.491 . . . . 0.0 113.067 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.808 ' HA ' HD23 ' A' ' 14' ' ' LEU . 30.5 p90 -145.97 167.18 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.526 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.626 ' SG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -137.9 148.11 45.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.986 0.422 . . . . 0.0 111.63 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.6 110.9 22.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.544 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 9' ' ' LEU . 3.6 p -113.12 111.87 37.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.351 0.596 . . . . 0.0 110.435 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 8' ' ' THR . 35.9 mt-10 -103.03 130.59 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.525 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.56 157.22 16.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 89.3 m-70 -79.47 -21.78 44.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.64 106.78 10.37 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.208 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -65.05 -32.25 73.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.518 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -66.51 -29.52 69.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.008 0.432 . . . . 0.0 110.325 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -86.18 -23.98 26.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.827 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.69 -33.51 74.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 110.346 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.498 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -40.12 81.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.86 93.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.443 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 3.1 tm? -54.7 -40.51 69.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.29 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.66 -59.36 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.347 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.0 -23.99 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -168.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.1 mmm -100.43 -4.19 29.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.457 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 26.4 t-20 -71.64 112.08 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.677 0.275 . . . . 0.0 110.856 -177.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.32 11.35 64.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.1 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 76' ' ' VAL . 24.9 ttt180 -80.26 140.17 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 110.753 -174.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -81.17 114.06 19.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.718 HD12 HG11 ' A' ' 76' ' ' VAL . 65.4 mt -120.76 119.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.141 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.3 mmt 66.51 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.92 12.33 1.1 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.887 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -136.5 142.78 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.914 0.387 . . . . 0.0 110.184 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.96 109.57 16.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 71' ' ' ILE . 15.4 m -71.28 148.44 10.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.266 0.555 . . . . 0.0 110.797 -176.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 59.2 mtpt -124.15 133.84 53.47 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.993 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.548 HG22 HG22 ' A' ' 11' ' ' VAL . 41.9 t -123.49 110.21 25.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.52 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.23 146.54 47.74 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -73.22 107.7 5.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.309 0.576 . . . . 0.0 110.251 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.877 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.155 -177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.758 0.313 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.1 132.07 25.26 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.463 2.109 . . . . 0.0 112.387 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 98.1 mttt -94.08 9.26 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.42 . . . . 0.0 110.339 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' HG2' ' A' ' 52' ' ' GLU . 28.9 m -110.61 118.99 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.584 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.9 mm? -92.95 133.37 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 64.4 t80 -102.78 96.95 7.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 57.3 t -100.13 118.19 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.432 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.42 171.88 15.07 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.471 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 t30 68.2 49.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 110.637 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 HG11 ' A' ' 18' ' ' VAL . 87.3 mt -85.52 130.9 34.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.84 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.468 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.2 t -92.06 166.66 12.55 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.876 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -75.08 -9.84 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.43 -17.17 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.764 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 15' ' ' SER . 77.8 t -86.65 107.99 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.687 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -87.42 149.4 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.9 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.044 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -65.24 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.896 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 2.6 tm? -85.38 -51.24 6.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.417 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -59.19 -57.04 13.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.285 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 36' ' ' CYS . 37.4 mt -60.79 -31.29 70.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.613 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 8.3 tt0 -68.39 -46.95 68.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 46.3 mt -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.119 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 59.0 m-85 -73.7 -34.87 65.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.474 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -65.45 -25.23 67.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.078 0.466 . . . . 0.0 110.602 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -71.33 -23.52 61.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.441 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.472 HG21 ' HB2' ' A' ' 62' ' ' ALA . 45.8 mm -93.57 -53.22 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.1 177.51 23.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.031 -176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 59.6 Cg_endo -76.09 110.15 3.02 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.944 2.429 . . . . 0.0 112.246 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.37 129.52 37.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.654 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -89.32 -53.04 4.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.26 0.552 . . . . 0.0 110.159 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -162.27 144.96 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.422 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' HB2' HD21 ' A' ' 24' ' ' LEU . 43.7 t -109.16 127.01 53.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.32 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 34.0 tptt -110.94 130.36 55.61 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.53 107.43 11.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.715 -174.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo . . . . . 0 CA--C 1.518 -0.29 0 CA-C-O 120.879 0.283 . . . . 0.0 111.894 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -124.05 150.58 44.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.381 0.61 . . . . 0.0 111.185 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -124.03 136.29 54.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.817 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 88.0 m-85 -96.0 107.9 20.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.835 174.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -101.45 105.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.045 0.45 . . . . 0.0 109.872 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HG2' HG23 ' A' ' 8' ' ' THR . 35.8 mt-10 -93.01 129.39 38.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -176.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 53.5 m-85 -107.85 164.98 11.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.215 0.531 . . . . 0.0 110.839 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 85.4 m-70 -92.42 -7.81 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.109 172.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.529 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.6 tm-20 -140.54 114.53 9.04 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.104 -166.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.479 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 83.4 t60 -79.0 -30.18 44.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.672 -175.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.529 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 32.0 ttt180 -62.35 -36.57 82.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 110.32 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -82.1 -33.19 29.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.189 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.37 -33.57 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.68 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.13 79.92 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.812 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.61 84.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.597 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' A' ' 30' ' ' ILE . . . -58.22 -42.47 86.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.779 HD12 HG12 ' A' ' 78' ' ' VAL . 7.3 tp -57.74 -55.07 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.92 79.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.958 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.03 -33.65 63.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.721 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.62 ' HB3' HG21 ' A' ' 78' ' ' VAL . 36.7 tpp -86.42 -40.96 14.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.543 -175.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.668 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.3 t30 -70.38 134.81 48.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.512 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 11.0 85.61 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.484 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -100.05 127.13 46.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.02 112.57 3.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.979 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.5 mt -135.44 125.53 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.931 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.464 ' CE ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 58.99 26.27 14.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.071 0.463 . . . . 0.0 110.914 -178.176 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.25 70.14 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.442 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.772 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 9.5 mmpt? -116.19 160.46 20.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.274 0.559 . . . . 0.0 111.309 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -91.94 110.17 21.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.541 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.0 146.9 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.666 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttp -129.29 120.96 26.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.779 HG12 HD12 ' A' ' 63' ' ' LEU . 18.5 t -115.2 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.027 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -116.41 147.41 41.69 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.623 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -86.7 102.53 14.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.362 0.601 . . . . 0.0 109.693 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--O 1.235 0.328 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.952 -171.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.9 mtm . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.76 98.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.786 2.324 . . . . 0.0 112.053 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HE3' ' HB2' ' A' ' 7' ' ' LYS . 31.1 ttmt -91.45 -4.48 55.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.501 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -108.82 131.37 55.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.967 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.1 mm? -100.25 129.98 46.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.547 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 24.3 t80 -94.65 106.93 18.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.344 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.627 HG22 HG22 ' A' ' 78' ' ' VAL . 45.0 t -111.23 122.53 65.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.23 -175.89 20.8 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.653 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.67 48.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.476 0.71 . . . . 0.0 111.248 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.5 mm? -91.57 171.64 9.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.697 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.776 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.8 t -139.24 147.54 41.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.45 ' HD2' ' H ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -65.07 -13.44 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.88 8.07 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.776 HG23 ' HB3' ' A' ' 15' ' ' SER . 93.3 t -95.94 116.07 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.1 t -75.13 144.12 42.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.586 0.708 . . . . 0.0 111.102 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.85 -31.1 72.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.625 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.56 71.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.175 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.447 ' H ' HG23 ' A' ' 19' ' ' THR . 57.7 tp -72.87 -56.47 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.397 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.79 -46.57 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.93 -32.14 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.413 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.41 -46.0 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.632 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.79 -49.67 72.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 92.9 m-85 -74.68 -31.92 62.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.5 t -65.1 -29.11 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.186 0.517 . . . . 0.0 110.271 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.83 -18.55 62.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 62' ' ' ALA . 45.2 mm -99.38 -52.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.63 169.36 24.63 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.717 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.85 116.25 4.36 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.041 2.494 . . . . 0.0 112.148 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.02 137.75 45.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.25 0.548 . . . . 0.0 111.048 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 57.6 tttt -106.14 -55.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.811 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -156.45 158.85 38.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 p -138.24 117.14 12.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.966 0.412 . . . . 0.0 110.841 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.825 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 30.4 mmmt -101.12 106.98 18.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 ptm -92.18 99.09 11.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.488 0.661 . . . . 0.0 110.856 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.234 -177.649 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo . . . . . 0 N--CA 1.462 -0.382 0 CA-C-O 121.016 0.34 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' A' ' 14' ' ' LEU . 22.1 p90 -153.65 166.53 32.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.319 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.44 140.93 46.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.825 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 76.1 m-85 -100.66 105.44 16.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.924 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 9' ' ' LEU . 14.4 m -101.36 121.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.193 0.521 . . . . 0.0 110.57 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 41.3 mt-10 -100.74 137.9 38.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.89 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 38.0 m-85 -106.3 175.6 5.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.696 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -99.64 -12.36 20.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.477 0.656 . . . . 0.0 109.246 170.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.4 tm-20 -135.88 120.36 18.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.156 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -76.7 -33.78 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.658 -173.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.502 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.3 ttt180 -65.43 -36.53 84.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.236 0.541 . . . . 0.0 110.263 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -73.81 -34.2 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.809 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.843 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -62.75 -33.11 74.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.607 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.01 -50.5 68.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.9 92.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -59.42 -46.01 89.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.49 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.507 HD12 HG12 ' A' ' 78' ' ' VAL . 4.1 tt -63.1 -43.98 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.794 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.27 72.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.82 -35.11 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.1 mmm -87.82 -23.5 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.58 110.72 4.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.16 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.84 10.26 56.61 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.167 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.1 tpt180 -78.22 166.32 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -119.6 107.17 12.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.436 HD13 HG11 ' A' ' 76' ' ' VAL . 3.4 mp -117.79 124.18 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.455 ' HG3' HG22 ' A' ' 18' ' ' VAL . 9.7 mmt 63.63 18.38 11.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.357 0.411 . . . . 0.0 111.335 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.89 -4.42 85.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 13.4 mptt -90.3 138.16 31.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 69' ' ' ARG . 16.8 m -86.13 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.189 0.519 . . . . 0.0 110.333 -175.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.8 mttp -127.08 122.12 33.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.954 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.627 HG22 HG22 ' A' ' 11' ' ' VAL . 28.5 t -113.84 123.42 69.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.143 -176.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -136.84 154.37 50.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.821 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.479 ' CD1' HD13 ' A' ' 63' ' ' LEU . 21.6 m0 -69.67 119.4 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.361 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.577 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 52.3 mtm . . . . . 0 N--CA 1.456 -0.147 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 80' ' ' TRP . 15.4 Cg_exo -69.46 120.98 7.74 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.965 2.443 . . . . 0.0 112.824 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -86.38 -15.05 41.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -94.48 125.65 39.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.079 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.811 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.0 mm? -94.1 139.11 31.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.058 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HD2' ' CE2' ' A' ' 50' ' ' PHE . 79.3 t80 -105.15 96.36 6.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.083 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 78' ' ' VAL . 39.0 t -99.45 112.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.252 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.14 21.22 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.962 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 69.62 32.66 3.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.146 0.557 . . . . 0.0 111.36 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 57.0 mt -72.38 154.21 41.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.914 0.388 . . . . 0.0 109.962 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.621 ' OG ' ' HD3' ' A' ' 74' ' ' LYS . 3.5 m -122.27 172.92 7.95 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.59 -23.36 63.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.689 0.757 . . . . 0.0 108.963 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB3' ' HE2' ' A' ' 72' ' ' MET . 6.1 m-20 -74.31 -18.15 60.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.037 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.471 HG11 HD22 ' A' ' 14' ' ' LEU . 57.3 t -85.68 130.37 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 22' ' ' LEU . 5.2 t -106.95 144.91 32.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.36 -37.77 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.935 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.405 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 26' ' ' LEU . 48.4 tp -71.16 -52.05 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.547 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.84 -51.7 49.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.68 -29.99 70.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.434 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -65.67 -43.0 90.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.023 0.439 . . . . 0.0 110.281 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -58.37 -46.83 85.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.978 177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.581 ' HD2' ' HB1' ' A' ' 62' ' ' ALA . 61.2 m-85 -73.29 -35.1 66.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.63 -24.57 67.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.37 -24.05 63.83 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.562 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.5 -49.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.51 158.21 28.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.617 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.7 124.69 8.96 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.979 2.452 . . . . 0.0 112.637 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -97.97 146.02 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.857 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.696 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 41.2 pttt -102.03 -31.11 10.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.852 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -151.53 148.69 28.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.588 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.7 p -132.03 112.69 12.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.25 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.886 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 mmmm -89.91 106.65 18.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.204 0.526 . . . . 0.0 110.139 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 95.0 mmm -91.44 98.7 11.84 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.887 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 45.3 mm . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.282 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 20.5 Cg_exo . . . . . 0 C--O 1.235 0.357 0 CA-C-O 121.163 0.401 . . . . 0.0 112.304 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 19.0 p90 -135.34 147.15 49.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB2' HD11 ' A' ' 14' ' ' LEU . 53.2 t -120.2 136.37 54.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.886 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 79.5 m-85 -103.66 115.54 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.15 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.0 m -115.03 123.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.887 0.375 . . . . 0.0 111.005 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -98.2 120.43 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 22.7 m-85 -87.79 158.14 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.748 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.696 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 80.0 m-70 -86.24 -8.6 57.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.286 173.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -139.03 114.81 10.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.45 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -66.31 -30.13 70.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.71 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -63.96 -34.76 78.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -85.27 -28.61 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.293 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.811 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -60.25 -40.1 89.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.272 174.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.84 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.589 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.04 88.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.726 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 27' ' ' PHE . . . -63.92 -37.6 88.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.595 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 80' ' ' TRP . 9.9 tt -59.51 -51.19 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.244 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.13 86.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.02 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.32 -33.34 49.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE1' ' HG ' ' A' ' 26' ' ' LEU . 13.6 tpt -91.54 -25.56 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.658 0.266 . . . . 0.0 111.353 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -61.65 110.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 10.13 51.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.119 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 11.5 tpt180 -71.64 152.64 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.7 ' HD3' ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.59 127.17 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 72' ' ' MET . 44.4 mt -138.41 117.76 14.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 71' ' ' ILE . 93.0 mmm 69.04 -5.03 1.11 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.746 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.56 -9.39 6.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.9 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.621 ' HD3' ' OG ' ' A' ' 15' ' ' SER . 28.5 mtpp -117.28 166.66 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -96.03 120.43 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.396 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.522 HG11 HD12 ' A' ' 71' ' ' ILE . 17.4 m -81.07 139.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.0 mttm -123.88 118.38 26.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.256 0.551 . . . . 0.0 110.785 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 11' ' ' VAL . 43.8 t -109.31 107.22 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.536 -176.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -110.39 -176.99 3.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.506 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . 10.0 p-90 -111.16 133.82 53.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.832 0.349 . . . . 0.0 110.225 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.987 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.439 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 66.4 mtt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 5' ' ' MET . 14.3 Cg_endo -56.35 109.8 0.49 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.214 2.609 . . . . 0.0 113.144 -173.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.46 -10.17 25.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -112.24 132.71 54.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.876 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.569 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -95.8 127.69 42.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 34.3 t80 -90.8 97.19 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.745 HG21 ' HZ ' ' A' ' 27' ' ' PHE . 43.7 t -114.63 112.83 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 111.56 -175.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -108.31 127.66 8.75 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.701 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 8.0 p30 177.87 -7.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.638 0.257 . . . . 0.0 110.61 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 89.6 mt -55.93 140.37 43.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.389 0.614 . . . . 0.0 111.619 -170.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 m -147.3 178.89 8.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.357 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -55.38 -46.63 76.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.69 14.04 9.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.87 130.75 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.0 t -118.62 153.77 33.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -53.67 -48.31 69.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.729 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -36.91 71.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.584 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 26' ' ' LEU . 60.9 tp -66.51 -53.99 28.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.057 0.456 . . . . 0.0 110.109 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.68 -49.08 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.291 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -64.68 -33.42 75.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.333 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -64.55 -40.46 95.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 0.0 110.032 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.0 mm? -63.57 -29.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.245 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.745 ' HZ ' HG21 ' A' ' 11' ' ' VAL . 55.6 m-85 -87.25 -28.22 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.478 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -71.42 -20.19 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.007 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 3.4 pt20 -75.61 -11.97 60.12 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.03 -50.7 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.26 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.42 161.47 30.14 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.07 116.5 4.03 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.861 2.374 . . . . 0.0 112.209 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -77.47 136.66 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -100.31 -47.48 4.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.59 153.56 34.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.212 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HB3' HD21 ' A' ' 24' ' ' LEU . 12.0 p -128.67 125.69 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.482 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.94 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.2 mmmt -111.06 106.19 15.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 ttt -88.7 114.1 24.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.908 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 121.234 0.54 . . . . 0.0 110.079 178.827 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.627 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.6 Cg_exo . . . . . 0 N--CA 1.458 -0.595 0 CA-C-O 121.229 0.429 . . . . 0.0 112.075 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 15.9 p90 -129.26 162.68 27.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.031 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HB2' HD11 ' A' ' 14' ' ' LEU . 42.6 t -134.07 139.31 45.89 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.366 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.94 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 89.9 m-85 -95.53 133.48 39.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.404 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.48 121.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.999 0.428 . . . . 0.0 111.036 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.07 130.49 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.602 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 14.6 m-85 -102.04 145.52 29.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.921 0.391 . . . . 0.0 110.611 176.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.117 174.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -125.4 109.83 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.669 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.64 -32.57 69.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.372 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 57' ' ' ARG . 40.1 mtp180 -67.57 -36.27 80.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -79.36 -21.23 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.327 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.569 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.94 -32.63 74.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.472 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.737 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -64.81 -46.34 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.122 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.92 88.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -61.12 -57.29 13.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.725 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.52 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.907 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 -33.19 61.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.602 ' HB3' HG21 ' A' ' 78' ' ' VAL . 42.7 tpp -92.05 -39.48 11.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.716 -174.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.717 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.0 t30 -63.98 125.38 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 111.099 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.17 66.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.48 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.587 ' O ' HG22 ' A' ' 76' ' ' VAL . 72.9 ttt180 -79.57 156.61 27.64 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -105.03 119.24 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 0.0 110.113 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.49 HD12 HG11 ' A' ' 76' ' ' VAL . 71.7 mt -137.49 126.77 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.017 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 62.75 23.71 14.13 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.513 0.508 . . . . 0.0 110.564 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.57 2.94 57.15 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.6 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -105.48 167.02 10.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.415 . . . . 0.0 110.737 -176.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.36 111.74 23.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.513 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.701 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 11.8 m -84.78 134.51 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.4 mtmm -126.51 134.01 51.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.763 HG12 HD12 ' A' ' 63' ' ' LEU . 26.2 t -128.75 109.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.246 0.546 . . . . 0.0 109.98 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -120.85 157.57 29.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.422 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.737 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.7 m95 -77.59 112.97 14.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.65 0.262 . . . . 0.0 110.515 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.269 0.557 . . . . 0.0 109.652 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.9 mtt . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.608 0.242 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 45.9 Cg_endo -70.52 140.44 39.82 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.509 2.14 . . . . 0.0 112.538 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -116.46 9.37 14.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 109.857 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 12.1 m -112.32 128.82 56.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.365 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.29 123.28 39.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.965 0.412 . . . . 0.0 109.946 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.744 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 53.2 t80 -96.67 98.54 10.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 78' ' ' VAL . 59.2 t -98.77 112.51 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.05 167.07 12.59 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.272 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.1 m120 74.35 54.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.398 0.679 . . . . 0.0 111.776 176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 49' ' ' CYS . 85.1 mt -82.76 -176.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 177.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.782 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 46.3 t -148.37 162.98 38.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.562 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -16.53 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 109.857 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -78.18 -21.98 49.32 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.192 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.2 t -82.97 139.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.371 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -126.7 149.07 49.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.158 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -25.81 65.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.837 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.19 -51.69 6.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.879 0.371 . . . . 0.0 110.592 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.57 -48.87 84.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.111 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -65.85 -29.09 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.471 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.08 -46.6 83.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.266 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.15 -45.67 92.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.686 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -67.83 -36.63 80.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -63.99 -26.7 68.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.228 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.43 -20.14 60.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.531 HG22 ' HB3' ' A' ' 58' ' ' HIS . 35.8 mm -101.04 -51.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.377 -177.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.6 158.34 27.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.447 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 55' ' ' GLU . 35.4 Cg_exo -61.16 119.53 6.73 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.156 2.57 . . . . 0.0 111.956 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.3 m -80.34 135.38 36.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.702 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.09 -46.49 10.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.445 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -165.29 167.19 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.447 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.707 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.6 p -137.63 124.45 21.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.157 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -125.95 105.66 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.034 0.445 . . . . 0.0 110.805 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 61.7 mtm -90.93 109.5 20.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.866 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo . . . . . 0 N--CA 1.473 0.312 0 N-CA-C 113.833 0.666 . . . . 0.0 113.833 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -140.99 165.46 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.631 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.543 ' HB2' HD11 ' A' ' 14' ' ' LEU . 43.3 t -136.39 142.46 43.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.198 0.523 . . . . 0.0 111.28 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -100.86 119.22 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.999 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -123.79 114.91 43.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 8' ' ' THR . 43.4 mt-10 -99.36 146.02 26.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.87 0.367 . . . . 0.0 111.069 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB3' ' H ' ' A' ' 55' ' ' GLU . 3.8 m-85 -113.65 152.59 30.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.69 -7.59 58.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 49.4 mm-40 -118.16 97.32 5.74 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.981 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -65.87 -30.12 70.67 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -67.14 -46.36 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.784 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' HB3' HG22 ' A' ' 30' ' ' ILE . 23.4 m80 -79.41 -16.89 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.491 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.18 74.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.45 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.8 85.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.02 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.12 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.918 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.32 89.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.473 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HA ' HG11 ' A' ' 78' ' ' VAL . 10.3 tt -61.87 -53.05 61.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.562 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.6 -14.69 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ttt -116.59 -29.1 6.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.713 -0.395 . . . . 0.0 112.037 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 114.96 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 0.0 111.646 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.02 10.04 63.08 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.87 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.646 ' O ' HG22 ' A' ' 76' ' ' VAL . 74.4 ttt180 -93.15 132.26 37.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -79.41 121.12 24.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.253 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -128.63 115.98 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 mmt 59.99 43.95 13.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.245 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.8 -35.97 3.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.642 174.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.782 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 10.8 mmmm -95.13 148.64 22.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 111.737 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.37 109.62 20.14 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.796 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 69' ' ' ARG . 16.4 m -75.0 145.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.266 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 65.6 mttm -126.93 116.01 20.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.887 0.375 . . . . 0.0 110.282 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 11' ' ' VAL . 36.1 t -104.11 114.98 45.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.5 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -120.46 159.22 25.59 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.063 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.433 ' CE3' ' HG2' ' A' ' 6' ' ' PRO . 99.4 m95 -78.83 102.37 8.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 175.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 C--O 1.233 0.209 0 CA-C-O 121.187 0.518 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.55 ' HG2' ' HE3' ' A' ' 80' ' ' TRP . 11.2 Cg_exo -71.21 127.43 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.63 2.22 . . . . 0.0 111.527 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 32.6 ttmt -97.89 4.91 49.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.69 0.757 . . . . 0.0 109.4 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -115.76 124.28 50.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.31 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.771 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -98.01 143.45 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.523 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.65 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 40.5 t80 -115.77 112.84 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.789 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 1.6 m -117.01 142.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.549 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.12 179.69 16.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.859 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 75' ' ' GLU . 61.9 t30 65.48 58.6 0.82 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 110.64 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.2 mm? -98.1 -177.38 3.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.605 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.444 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 27.9 t -148.62 148.65 30.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.561 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' H ' ' CD ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -66.06 -7.45 17.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.845 -179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.71 -26.28 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 109.983 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 22' ' ' LEU . 42.4 t -74.73 141.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.295 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.6 t -120.43 158.94 26.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.562 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.24 -46.8 76.03 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.73 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.32 -25.8 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.689 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 18' ' ' VAL . 60.0 tp -80.27 -50.63 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.207 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 HG11 ' A' ' 18' ' ' VAL . 38.0 mm -57.95 -53.56 43.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.372 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.47 -47.97 82.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.535 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -62.32 -40.73 97.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.134 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 34.3 mt -56.42 -47.57 78.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 91.3 m-85 -78.66 -30.38 46.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.209 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.4 m -65.22 -26.73 68.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.154 0.502 . . . . 0.0 110.452 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.13 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.327 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.81 -52.86 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.82 165.99 26.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.933 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.97 120.01 7.16 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.813 2.342 . . . . 0.0 112.242 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -78.44 128.45 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.654 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -88.39 -51.19 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -170.96 153.92 4.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.933 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -136.1 108.16 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.94 0.4 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -95.07 106.72 18.74 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.242 0.544 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 38' ' ' MET . 1.1 pmm? -87.36 102.37 14.45 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.52 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.2 mm . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.744 -178.2 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.666 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.6 Cg_endo . . . . . 0 CA--C 1.531 0.371 0 N-CA-C 114.542 0.939 . . . . 0.0 114.542 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.781 ' HA ' HD23 ' A' ' 14' ' ' LEU . 11.9 p90 -144.2 154.49 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.43 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -121.81 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.115 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -97.93 117.16 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.247 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 9' ' ' LEU . 46.1 t -113.24 114.25 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 -177.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -103.87 128.75 51.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 59.5 m-85 -105.67 174.77 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.23 -7.72 24.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.4 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 2.0 tm-20 -139.67 119.11 12.96 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.448 -170.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -77.75 -34.83 52.28 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -172.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -70.4 -26.06 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.343 0.592 . . . . 0.0 109.811 -177.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -83.01 -35.0 26.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.36 -39.92 84.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.426 175.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.09 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.284 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.04 72.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.3 79.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.406 HD11 ' HD1' ' A' ' 80' ' ' TRP . 9.3 tt -54.98 -58.53 7.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.497 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.88 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.779 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -31.08 41.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.862 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.28 -24.06 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -62.11 121.1 12.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.138 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.43 9.3 60.39 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.756 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 76' ' ' VAL . 23.7 ttt180 -85.74 128.26 34.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 0.0 110.123 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.55 125.72 34.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.341 0.591 . . . . 0.0 110.454 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.4 mt -125.82 119.05 53.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.889 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 69.07 -74.59 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.877 0.735 . . . . 0.0 110.795 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.09 10.17 0.46 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.152 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 67.8 mmtt -123.99 161.41 25.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 110.741 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ASN . 37.3 tt0 -117.21 108.0 15.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.817 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 69' ' ' ARG . 18.2 m -75.25 146.22 9.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 -174.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.789 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 85.1 mttt -132.09 107.07 8.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 HG12 ' A' ' 11' ' ' VAL . 25.1 t -97.81 105.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.103 -176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -115.78 149.71 38.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.55 ' HE3' ' HG2' ' A' ' 6' ' ' PRO . 2.7 p-90 -79.88 104.75 10.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.121 0.486 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.94 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 69.1 mtm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.59 -0.152 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.95 98.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.523 2.149 . . . . 0.0 111.463 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.77 -12.25 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.875 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.8 m -105.66 131.21 53.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.659 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.811 HD12 HD23 ' A' ' 63' ' ' LEU . 2.9 mm? -97.89 124.63 42.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.811 0.339 . . . . 0.0 110.144 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -91.19 100.89 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.769 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 78' ' ' VAL . 41.1 t -103.7 117.49 49.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.33 172.38 14.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.501 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' A' ' 13' ' ' ASN . 11.0 m120 66.44 64.13 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.582 0.706 . . . . 0.0 110.673 -176.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.4 mm? -98.31 -169.51 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.979 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.447 ' HB2' HG23 ' A' ' 18' ' ' VAL . 65.5 m -148.17 164.3 34.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.775 0.321 . . . . 0.0 110.524 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.0 mpt_? -77.29 -13.82 59.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.187 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -98.06 7.78 45.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.449 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 HD23 ' A' ' 22' ' ' LEU . 62.0 t -104.92 115.12 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.502 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 22' ' ' LEU . 9.5 t -96.06 159.3 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.41 -50.02 66.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.74 70.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.697 ' H ' HG23 ' A' ' 19' ' ' THR . 51.9 tp -67.12 -52.63 39.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.033 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -56.72 -46.72 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.592 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.48 -49.57 72.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.25 -41.98 94.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 0.0 111.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.537 HD12 ' HE1' ' A' ' 66' ' ' MET . 3.8 mm? -63.29 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.701 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 67.9 m-85 -86.45 -32.54 20.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -57.25 -36.29 70.78 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.884 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.53 -19.61 64.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.327 . . . . 0.0 111.307 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 62' ' ' ALA . 39.9 mm -91.51 -48.36 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.35 0.595 . . . . 0.0 109.537 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.49 ' HA3' ' CD2' ' A' ' 58' ' ' HIS . . . -158.31 155.82 26.82 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.054 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 17.3 Cg_exo -69.04 123.79 10.7 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.797 2.331 . . . . 0.0 112.722 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 p -104.53 141.51 36.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.757 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 22.6 tptm -113.15 -33.19 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -128.12 147.95 50.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.464 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.36 124.23 9.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.098 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -122.45 105.72 10.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.495 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.46 104.56 16.6 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.396 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.5 mm . . . . . 0 C--N 1.32 -0.694 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.563 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.2 Cg_endo . . . . . 0 C--O 1.231 0.143 0 N-CA-C 114.494 0.921 . . . . 0.0 114.494 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.69 ' HA ' HD23 ' A' ' 14' ' ' LEU . 13.8 p90 -138.05 157.37 46.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.713 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -132.79 139.67 47.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.091 0.472 . . . . 0.0 111.453 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.03 114.6 28.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.204 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 m -113.63 133.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.738 0.304 . . . . 0.0 110.838 176.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -108.58 130.37 55.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.174 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.9 m-85 -105.18 157.48 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.541 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 98.8 m-70 -86.36 -10.66 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.552 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -136.77 120.22 16.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.307 -175.149 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -68.33 -27.94 66.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.253 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 59.9 ttt180 -64.46 -51.18 64.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.457 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.7 p-80 -90.76 -6.59 54.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.725 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.56 99.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.35 83.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.667 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 58' ' ' HIS . . . -57.22 -48.49 78.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.123 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -64.52 -38.6 91.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.811 HD23 HD12 ' A' ' 9' ' ' LEU . 1.8 tm? -51.47 -58.44 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.113 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.82 71.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.938 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.537 ' HE1' HD12 ' A' ' 26' ' ' LEU . 40.8 tpp -87.63 -26.78 22.87 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.424 -174.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.15 117.92 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.144 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 10.04 57.63 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.948 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -81.17 159.43 24.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -108.26 85.48 2.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 76' ' ' VAL . 66.7 mt -92.62 109.24 21.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.174 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.0 mmt 67.88 -74.73 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.031 0.832 . . . . 0.0 111.487 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.06 33.7 0.17 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.235 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.94 141.85 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -75.27 109.67 8.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.822 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 71' ' ' ILE . 24.2 m -93.59 138.03 21.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.457 0.646 . . . . 0.0 111.16 -175.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.6 mttm -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.858 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.74 HG12 HD22 ' A' ' 63' ' ' LEU . 14.4 t -120.87 109.89 26.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.824 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.63 170.72 9.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.333 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -71.25 129.21 38.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.832 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.161 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 121.015 0.436 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.09 -18.5 60.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.265 0.555 . . . . 0.0 110.094 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.85 -27.25 68.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.87 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -83.78 11.82 6.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.115 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt -119.19 75.69 15.6 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.231 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.815 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 65.4 Cg_endo -77.32 144.91 23.54 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.979 2.453 . . . . 0.0 113.617 -175.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -104.27 3.17 32.37 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.993 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.6 m -98.92 124.34 43.81 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.06 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.646 ' HB2' HG23 ' A' ' 51' ' ' VAL . 3.5 mm? -99.37 130.64 45.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.899 0.381 . . . . 0.0 110.365 178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.9 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 57.0 t80 -99.05 92.92 5.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.573 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 21.2 t -98.44 115.83 39.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.239 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.12 -173.07 21.06 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.399 176.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 76' ' ' VAL . 4.8 m-20 72.8 30.8 1.7 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.783 0.433 . . . . 0.0 111.169 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -83.02 172.6 12.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.266 0.555 . . . . 0.0 111.569 -177.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.946 ' HB2' ' HD2' ' A' ' 74' ' ' LYS . 24.8 t -141.95 152.38 43.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.192 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -16.16 63.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.035 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -94.46 -5.31 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.673 178.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 15' ' ' SER . 47.6 t -85.75 98.76 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 174.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.2 t -69.15 143.28 54.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.73 0.776 . . . . 0.0 111.459 -173.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.42 -28.52 70.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.656 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.46 87.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.912 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' H ' HG23 ' A' ' 19' ' ' THR . 61.1 tp -73.62 -48.26 33.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.511 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -55.09 -48.36 76.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.893 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD21 ' HB2' ' A' ' 36' ' ' CYS . 2.7 mm? -58.98 -44.27 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.303 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -59.07 -41.8 88.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.389 . . . . 0.0 110.801 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.56 -41.02 93.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.316 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 62.0 m-85 -77.38 -34.34 54.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.446 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -66.78 -17.32 64.81 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.281 0.562 . . . . 0.0 110.731 176.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -77.65 -14.54 59.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.412 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.5 mm -105.37 -52.42 7.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.919 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.32 169.83 30.28 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.596 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.76 108.31 2.05 Favored 'Trans proline' 0 C--O 1.237 0.463 0 C-N-CA 122.675 2.25 . . . . 0.0 111.491 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.1 p -74.23 136.1 42.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.951 0.405 . . . . 0.0 110.77 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -99.06 -44.84 6.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.719 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -147.75 154.46 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.709 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' HB2' HD21 ' A' ' 24' ' ' LEU . 5.7 p -154.81 118.99 4.69 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.131 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 12.4 mmmm -129.1 108.93 10.76 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.034 0.445 . . . . 0.0 111.546 178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.9 ttt -87.45 108.59 19.08 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.19 94.26 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.2 0.524 . . . . 0.0 110.787 -174.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.3 ptm -72.36 98.64 2.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.406 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.6 143.14 42.48 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.122 0.963 . . . . 0.0 111.764 -177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.7 m -102.44 -23.71 13.9 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.993 -174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.82 -20.45 18.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -166.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.4 42.27 1.39 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.867 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -103.17 -170.23 1.76 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 22.5 t70 -86.04 115.53 62.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 173.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 10.9 Cg_exo -70.57 139.35 37.21 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.626 2.217 . . . . 0.0 112.132 -178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' HA ' HD23 ' A' ' 14' ' ' LEU . 19.9 p90 -139.78 164.52 29.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -133.22 140.53 47.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.78 -176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -103.62 108.75 20.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.939 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 9' ' ' LEU . 12.3 m -113.43 122.16 67.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.11 0.481 . . . . 0.0 110.583 177.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -108.4 137.01 47.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.48 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 65.0 m-85 -106.02 159.68 15.87 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 110.675 177.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -80.47 -11.25 59.7 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.03 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.593 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.3 OUTLIER -139.99 110.23 6.57 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.838 -169.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -64.65 -34.31 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.392 -177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.593 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.6 ttt180 -69.11 -26.3 64.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.34 0.59 . . . . 0.0 110.545 -178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 55' ' ' GLU . 22.2 m80 -83.68 -35.02 24.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.426 176.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.627 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.58 -34.9 73.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.226 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -34.86 73.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.576 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.66 -35.08 62.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.133 0.492 . . . . 0.0 110.175 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.73 -34.59 78.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.591 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.718 HD12 HG12 ' A' ' 78' ' ' VAL . 4.8 tp -54.87 -61.4 2.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.499 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.23 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.022 -174.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.25 -23.34 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.559 ' HB2' HG21 ' A' ' 78' ' ' VAL . 22.2 mmt -113.86 -24.46 9.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.0 t30 -66.01 124.76 23.42 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.125 -0.359 . . . . 0.0 110.892 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.79 10.09 84.63 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.101 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 76' ' ' VAL . 19.0 ttt180 -80.51 135.13 36.05 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -89.45 118.51 29.15 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.141 0.496 . . . . 0.0 109.95 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 72' ' ' MET . 65.7 mt -126.47 125.51 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.067 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.526 ' HG2' HG22 ' A' ' 71' ' ' ILE . 26.5 mmt 66.71 -77.21 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.81 0.694 . . . . 0.0 110.932 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -157.26 22.51 0.44 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.087 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.946 ' HD2' ' HB2' ' A' ' 15' ' ' SER . 59.6 mttm -139.37 155.27 47.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.764 0.316 . . . . 0.0 110.986 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -100.66 109.99 22.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.472 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . 17.0 m -79.02 163.65 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.06 0.457 . . . . 0.0 111.475 -174.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 21.6 mmmt -136.12 116.99 14.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.166 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.718 HG12 HD12 ' A' ' 63' ' ' LEU . 43.9 t -102.04 111.75 32.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.952 -179.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -113.84 166.78 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.79 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -84.07 116.11 22.7 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.341 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.9 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -100.51 104.49 15.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.815 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -54.36 130.96 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.522 0.514 . . . . 0.0 111.163 -174.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.7 m -102.07 107.11 51.36 Favored Pre-proline 0 N--CA 1.441 -0.905 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.375 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.41 124.35 6.43 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.689 2.259 . . . . 0.0 111.784 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.9 p -73.72 -26.18 60.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.62 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.2 t -168.59 175.78 6.01 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.795 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 61.79 90.35 0.07 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 112.19 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -113.16 119.57 38.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 171.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -98.67 -12.48 21.0 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 0.0 109.925 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -72.54 130.29 40.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.333 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.8 m -65.88 -32.1 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.642 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.448 -0.787 . . . . 0.0 109.847 175.096 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 121.098 0.475 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.559 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.2 mp0 -62.25 -21.22 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.696 0.76 . . . . 0.0 109.104 174.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.1 -21.78 66.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.77 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -96.64 -41.52 8.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -124.27 84.12 56.24 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 121.5 0.666 . . . . 0.0 110.459 -178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.703 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 66.1 Cg_endo -76.9 -44.81 0.19 Allowed 'Trans proline' 0 CA--C 1.529 0.269 0 C-N-CA 122.941 2.427 . . . . 0.0 114.792 -172.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 6' ' ' PRO . 42.0 ttmt 79.72 -26.12 0.17 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.604 0.762 . . . . 0.0 110.873 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -80.05 137.48 36.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.63 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.723 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.2 mm? -105.07 139.09 40.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.229 0.538 . . . . 0.0 110.849 178.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.753 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 84.4 t80 -104.9 100.7 10.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.512 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.682 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.5 t -100.15 113.16 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.89 179.01 19.94 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.35 -178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.617 ' HA ' ' OD1' ' A' ' 46' ' ' ASP . 9.5 m120 67.74 47.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.478 0.711 . . . . 0.0 111.232 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.573 HD11 ' HB2' ' A' ' 49' ' ' CYS . 48.6 mt -83.84 149.7 26.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.232 175.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -124.38 170.63 10.64 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -71.26 -12.42 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.432 0.634 . . . . 0.0 109.627 174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -81.24 -14.43 57.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.055 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.425 HG11 HD22 ' A' ' 14' ' ' LEU . 58.3 t -93.02 122.65 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.384 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -100.74 144.44 29.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.858 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HG3' HD23 ' A' ' 24' ' ' LEU . 5.3 tp10 -55.38 -40.72 71.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.905 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.74 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.665 -177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 53.1 tp -75.8 -50.36 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.436 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -57.0 -50.45 76.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.777 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD23 ' HG3' ' A' ' 20' ' ' GLU . 3.2 mm? -53.85 -49.11 69.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.899 178.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -63.32 -42.52 99.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.822 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 36.7 mt -59.24 -49.62 77.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.86 0.362 . . . . 0.0 111.381 -177.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 83.9 m-85 -74.83 -30.51 61.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.598 -177.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.7 m -63.85 -29.15 70.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 110.599 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.59 -32.95 74.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.609 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' HA ' ' A' ' 62' ' ' ALA . 38.2 mm -86.1 -52.95 11.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 -177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.9 169.45 28.0 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.323 -0.942 . . . . 0.0 112.585 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.08 112.35 3.5 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.031 2.488 . . . . 0.0 111.402 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 p -79.46 127.31 31.96 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.274 0.559 . . . . 0.0 110.75 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE2' ' HB3' ' A' ' 52' ' ' GLU . 38.2 ttpt -82.16 -34.51 29.07 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.935 -177.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -171.86 147.75 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.414 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.1 m -136.93 132.12 33.99 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.718 ' HE3' HD11 ' A' ' 39' ' ' ILE . 37.5 ttpt -131.1 145.96 52.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.8 ptt? -109.98 126.02 53.49 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.695 -177.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.718 HD11 ' HE3' ' A' ' 37' ' ' LYS . 23.7 mm -117.68 102.81 13.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.893 0.378 . . . . 0.0 110.156 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -111.46 124.47 52.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -84.06 -164.84 1.0 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 14.5 p -70.25 9.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -173.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 42' ' ' THR . . . 78.24 145.6 0.09 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.579 0.752 . . . . 0.0 110.62 -177.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.31 -20.77 44.25 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 110.301 -1.12 . . . . 0.0 110.301 -172.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -110.54 151.15 27.93 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 174.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.617 ' OD1' ' HA ' ' A' ' 13' ' ' ASN . 36.9 t70 -71.44 119.96 76.96 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.241 -171.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.494 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 4.5 Cg_exo -76.3 146.22 27.95 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.253 2.636 . . . . 0.0 111.771 175.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -144.04 161.56 38.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.13 0.49 . . . . 0.0 111.472 -176.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.573 ' HB2' HD11 ' A' ' 14' ' ' LEU . 40.7 t -124.61 138.76 54.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.418 -177.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -103.62 111.93 24.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.155 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' HB2' ' A' ' 9' ' ' LEU . 13.4 m -110.08 117.92 55.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.533 0.683 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.541 ' HB3' ' HE2' ' A' ' 34' ' ' LYS . 3.7 mm-40 -96.9 137.97 35.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.16 177.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 64.1 m-85 -114.79 167.54 10.68 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 176.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -86.01 -37.62 18.77 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.69 136.0 45.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.673 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 17.3 t60 -76.7 -30.56 56.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.666 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -68.06 -40.62 82.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.803 0.335 . . . . 0.0 111.654 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -72.6 -18.46 61.59 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.116 0.484 . . . . 0.0 110.186 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.723 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.02 -34.56 78.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.23 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.22 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.9 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.73 -37.59 84.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.505 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HA ' HG13 ' A' ' 30' ' ' ILE . . . -66.3 -37.98 86.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.394 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.817 HD12 HG12 ' A' ' 78' ' ' VAL . 5.5 tp -54.28 -61.4 2.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.474 178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 -22.54 65.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.813 -172.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.32 -15.39 29.16 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.521 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -113.44 -35.47 5.26 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.342 -173.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.683 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 36.5 p30 -70.68 146.95 49.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.4 0.619 . . . . 0.0 111.665 -175.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.47 9.64 84.55 Favored Glycine 0 C--N 1.331 0.263 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.263 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' O ' HG22 ' A' ' 76' ' ' VAL . 33.5 ttt180 -94.85 132.28 39.83 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -177.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -91.64 118.12 30.35 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.042 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.699 HG22 ' HG2' ' A' ' 72' ' ' MET . 68.4 mt -126.83 125.98 67.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 -176.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.699 ' HG2' HG22 ' A' ' 71' ' ' ILE . 24.5 mmt 72.99 -50.45 0.71 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.723 0.809 . . . . 0.0 111.288 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.01 26.62 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -142.22 139.94 32.16 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -83.68 110.25 18.13 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 175.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 69' ' ' ARG . 19.2 m -76.0 160.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.309 0.576 . . . . 0.0 111.931 -174.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 mmtt -127.79 132.82 49.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.206 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.817 HG12 HD12 ' A' ' 63' ' ' LEU . 20.8 t -129.22 104.0 10.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 175.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -118.38 177.2 4.9 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.499 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -89.96 115.43 27.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.95 0.405 . . . . 0.0 110.824 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.753 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -88.25 100.08 12.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.703 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 25.5 p -87.01 -162.95 0.84 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.265 0.555 . . . . 0.0 111.719 -177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 p -59.58 147.17 78.22 Favored Pre-proline 0 N--CA 1.447 -0.58 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.357 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.07 131.01 29.04 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.504 2.136 . . . . 0.0 112.012 177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.658 ' HA ' ' HG3' ' A' ' 88' ' ' LYS . 51.0 m 63.01 48.41 3.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.536 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.6 p -107.33 -67.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.469 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -90.5 25.37 2.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.169 0.509 . . . . 0.0 110.782 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.658 ' HG3' ' HA ' ' A' ' 85' ' ' SER . 30.5 mmmt -70.73 124.38 24.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.67 179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -119.37 45.71 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.686 -177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -80.63 101.59 9.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.736 -0.666 . . . . 0.0 109.599 175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 p -72.19 93.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.638 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.338 178.146 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -74.71 -27.26 60.31 Favored 'General case' 0 C--O 1.226 -0.137 0 CA-C-O 121.426 0.631 . . . . 0.0 110.079 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -64.56 -23.27 67.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.601 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -86.76 -22.78 25.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.187 0.518 . . . . 0.0 110.581 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.2 mmt -121.33 72.83 27.73 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.854 174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.549 ' HD2' ' HE1' ' A' ' 56' ' ' HIS . 73.3 Cg_exo -51.96 -53.94 6.13 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.265 2.643 . . . . 0.0 113.07 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt 73.66 -45.91 0.62 Allowed 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.778 0.674 . . . . 0.0 111.297 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.504 HG23 ' HB2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -85.96 131.04 34.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 178.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.625 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -97.65 129.85 44.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.01 0.433 . . . . 0.0 110.635 177.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 51.4 t80 -99.22 104.01 15.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.542 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 14.3 t -119.09 119.09 59.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.8 -178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.47 122.56 6.13 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.432 -0.889 . . . . 0.0 111.563 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 3.6 p-10 175.71 5.82 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 81.9 mt -66.11 142.47 57.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.272 0.558 . . . . 0.0 111.383 -172.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.497 ' OG ' HG23 ' A' ' 18' ' ' VAL . 90.1 p -129.25 -179.18 4.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.164 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HD2' ' C ' ' A' ' 16' ' ' ARG . 3.2 ppt_? -71.95 -12.85 61.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.922 0.392 . . . . 0.0 110.668 175.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -91.2 -37.72 13.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.605 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.497 HG23 ' OG ' ' A' ' 15' ' ' SER . 93.7 t -61.19 138.65 21.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -121.11 154.43 36.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.564 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.47 -44.44 80.59 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.971 0.415 . . . . 0.0 110.685 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.93 -19.12 63.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.977 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.3 tp -82.83 -52.86 6.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 0.0 110.114 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.1 mm -60.75 -53.59 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.12 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -60.8 -32.29 71.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.318 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.95 -45.32 67.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.798 0.333 . . . . 0.0 111.117 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 38.0 mt -63.29 -37.46 87.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.985 -178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 65.9 m-85 -81.64 -29.3 33.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.218 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.4 t -65.63 -23.45 66.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.056 0.455 . . . . 0.0 110.057 175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.21 -31.66 71.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.064 174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.9 mm -92.17 -52.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.676 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.3 158.99 27.9 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.117 -1.04 . . . . 0.0 113.152 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 12.6 Cg_exo -70.6 129.51 16.83 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 122.851 2.367 . . . . 0.0 111.744 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -84.73 133.52 34.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 -175.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.621 ' HD3' ' CE1' ' A' ' 54' ' ' HIS . 26.8 tptp -88.87 -44.11 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.634 176.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -163.09 146.0 10.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.941 176.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 80.9 m -135.6 138.4 42.9 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.091 0.472 . . . . 0.0 110.549 -178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -124.11 147.8 47.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.125 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -132.47 107.89 8.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.527 0.68 . . . . 0.0 109.908 176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.1 mm -79.53 85.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.805 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 71.9 mtp -79.86 83.56 5.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.192 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -109.6 130.71 55.49 Favored 'General case' 0 C--N 1.309 -1.196 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -100.83 7.71 43.58 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.985 -170.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.57 58.6 1.06 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.08 -59.12 4.31 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 113.71 174.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -69.38 156.16 39.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 -174.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 33.2 m-20 -71.6 131.3 86.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.581 -177.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.755 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 33.1 Cg_exo -62.13 148.68 92.75 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.999 2.466 . . . . 0.0 112.239 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -127.96 155.16 44.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.544 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -119.97 140.75 50.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.792 -175.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.428 ' CE1' ' HD2' ' A' ' 10' ' ' TYR . 73.9 m-85 -107.64 106.33 16.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.109 175.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.623 HG23 ' HB2' ' A' ' 9' ' ' LEU . 12.4 m -106.91 121.45 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.902 0.382 . . . . 0.0 110.37 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HB2' HG23 ' A' ' 8' ' ' THR . 31.3 tt0 -119.66 122.94 42.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.126 0.489 . . . . 0.0 110.331 -178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 61.3 m-85 -94.69 171.8 8.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.056 -176.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.625 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 90.3 m-70 -74.57 -32.53 62.43 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.654 0.74 . . . . 0.0 109.537 173.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' OE1' ' HB3' ' A' ' 57' ' ' ARG . 1.8 tm-20 -118.1 120.24 37.17 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.911 -166.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.549 ' HE1' ' HD2' ' A' ' 6' ' ' PRO . 44.2 t60 -69.85 -33.77 72.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.235 -0.893 . . . . 0.0 112.368 -173.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.449 ' HB3' ' OE1' ' A' ' 55' ' ' GLU . 14.4 ttm180 -70.39 -23.65 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.282 0.563 . . . . 0.0 110.601 -175.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -81.82 -31.04 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.374 177.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.625 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.41 -32.11 72.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.54 178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.495 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -62.18 -50.05 73.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.744 177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.0 -38.03 87.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.707 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.16 85.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' HA ' HG11 ' A' ' 78' ' ' VAL . 8.1 tt -65.39 -49.81 67.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.637 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.6 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.061 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.02 -38.36 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.412 ' O ' ' HB2' ' A' ' 69' ' ' ARG . 91.4 mmm -86.71 -26.65 24.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -65.01 123.47 19.55 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.854 -0.339 . . . . 0.0 111.149 -176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.01 66.29 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.666 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' ' 76' ' ' VAL . 14.1 ttt180 -83.2 148.61 27.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.854 0.359 . . . . 0.0 110.175 -178.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -101.56 118.51 37.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.64 -178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 83.1 mt -136.02 126.16 41.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.161 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 81.4 mmm 62.49 25.72 15.32 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.756 0.422 . . . . 0.0 111.423 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.8 1.17 77.33 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.879 -0.676 . . . . 0.0 111.966 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.1 tptt -100.89 136.08 41.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.671 0.388 . . . . 0.0 110.18 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.88 112.6 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.222 0.534 . . . . 0.0 110.207 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 4.0 m -83.12 145.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.193 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.1 mttp -129.21 124.1 33.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.718 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.556 HG13 HG22 ' A' ' 11' ' ' VAL . 20.7 t -112.44 113.7 44.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.819 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -120.41 158.33 27.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.681 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.495 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.8 m95 -74.59 117.49 16.47 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.613 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -79.55 90.41 5.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.039 0.447 . . . . 0.0 110.374 -178.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -142.85 140.41 31.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.21 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.9 m -118.68 104.98 46.47 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.18 133.29 54.83 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.616 2.211 . . . . 0.0 112.096 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.2 t -72.74 -20.94 61.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.481 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.9 m -76.27 72.18 3.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.227 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -102.97 107.21 17.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.59 -174.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -81.99 132.71 35.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.56 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -77.14 91.54 3.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.692 174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.5 t70 64.64 89.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.842 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 92' ' ' SER . 6.5 t -70.5 -42.55 71.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 175.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.469 ' HB2' ' O ' ' A' ' 91' ' ' THR . 18.7 t . . . . . 0 C--O 1.25 1.086 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -82.31 -37.02 26.38 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.306 -178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' OD1' HG22 ' A' ' 83' ' ' THR . 18.9 t70 -64.87 -35.25 80.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.029 0.442 . . . . 0.0 111.565 -173.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -65.7 -22.27 66.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.397 -179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -131.75 80.74 65.25 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.957 0.408 . . . . 0.0 110.135 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.706 ' HB2' ' HE3' ' A' ' 80' ' ' TRP . 99.8 Cg_exo -42.07 -48.7 6.2 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 124.225 3.283 . . . . 0.0 114.439 -170.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.9 tttt 74.68 -46.58 0.61 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.779 0.674 . . . . 0.0 111.776 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.3 m -88.7 139.71 30.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.499 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.867 HD12 HD23 ' A' ' 63' ' ' LEU . 2.7 mm? -100.71 133.38 45.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.863 0.363 . . . . 0.0 110.035 178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.886 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 59.3 t80 -96.18 113.81 25.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.826 178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.793 HG22 HG22 ' A' ' 78' ' ' VAL . 86.1 t -106.22 121.19 58.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.905 0.383 . . . . 0.0 110.199 176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -109.18 167.48 12.95 Favored Glycine 0 N--CA 1.442 -0.95 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.924 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 12' ' ' GLY . 95.1 m-20 71.53 59.77 0.16 Allowed 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.984 0.461 . . . . 0.0 111.125 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 23.0 mt -84.45 142.82 29.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.444 0.64 . . . . 0.0 110.089 172.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.2 m -118.88 161.05 20.82 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.905 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -59.39 -30.68 68.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 110.15 -178.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.92 14.26 2.85 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.609 -176.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -101.01 108.75 23.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.944 0.402 . . . . 0.0 111.132 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.458 HG23 ' H ' ' A' ' 22' ' ' LEU . 3.7 t -84.06 144.18 29.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.158 173.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.19 -32.63 73.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.454 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.52 -43.46 97.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.502 -177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' O ' HD23 ' A' ' 26' ' ' LEU . 55.2 tp -68.48 -51.06 47.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.645 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -57.25 -48.58 82.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.182 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.4 mm? -66.11 -28.8 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.538 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -66.57 -45.98 77.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 109.847 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -54.72 -41.61 70.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.4 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 64.7 m-85 -80.95 -37.05 30.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.482 -178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.9 t -63.95 -27.4 69.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.345 . . . . 0.0 110.859 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -68.73 -22.03 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.364 177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.0 mm -96.43 -50.55 11.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HB3' ' A' ' 58' ' ' HIS . . . -154.03 165.4 31.69 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.57 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.12 118.94 5.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.043 2.495 . . . . 0.0 112.006 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.8 m -81.15 142.94 32.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.364 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 52' ' ' GLU . 38.2 tttm -91.59 -52.75 4.62 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.502 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -165.36 151.4 9.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.286 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.4 p -127.34 124.71 39.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -106.95 130.61 54.58 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.0 mmm -110.13 99.2 8.31 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.026 -176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -85.79 84.19 2.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 67.2 mtm -100.86 83.47 2.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.767 0.794 . . . . 0.0 110.039 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -133.52 111.33 10.61 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-N 114.547 -1.206 . . . . 0.0 108.706 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 t -100.08 1.22 42.09 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-O 121.32 0.581 . . . . 0.0 110.896 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.37 -32.0 14.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.422 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.15 -61.66 2.33 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.323 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -159.65 -164.38 1.33 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.94 120.81 78.77 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 120.653 0.264 . . . . 0.0 110.494 176.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.612 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 47.2 Cg_exo -56.38 147.72 66.17 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 123.357 2.705 . . . . 0.0 113.12 -176.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -144.69 179.9 7.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.785 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.603 ' HB2' HD11 ' A' ' 14' ' ' LEU . 50.6 t -145.18 148.69 33.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -172.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.407 ' HD2' HD11 ' A' ' 39' ' ' ILE . 58.4 m-85 -120.48 114.6 22.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.181 176.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -114.49 127.66 71.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.971 0.415 . . . . 0.0 111.064 179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 34' ' ' LYS . 43.4 mt-10 -106.21 139.8 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 27.8 m-85 -108.92 155.47 20.81 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.907 174.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -84.65 -7.29 59.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.357 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -136.68 122.39 19.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.186 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -62.9 -33.61 75.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.438 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -66.49 -36.46 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' HB3' ' HA3' ' A' ' 31' ' ' GLY . 11.3 m170 -79.45 -27.93 41.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.053 0.454 . . . . 0.0 109.965 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.3 -37.94 89.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.103 174.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' HA ' ' HZ2' ' A' ' 80' ' ' TRP . . . -64.84 -41.96 95.31 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.343 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.37 -37.03 84.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.887 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.51 -37.24 77.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.867 HD23 HD12 ' A' ' 9' ' ' LEU . 2.6 tm? -52.13 -56.81 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.845 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -23.45 60.06 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -173.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.15 -29.0 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.432 ' HB3' HG21 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -93.09 -40.03 10.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.622 0.249 . . . . 0.0 110.45 -175.332 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.481 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.4 t30 -63.36 125.83 25.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.901 0.381 . . . . 0.0 111.325 -176.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.99 4.38 75.08 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.887 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' O ' HG22 ' A' ' 76' ' ' VAL . 52.2 ttt180 -91.23 141.23 29.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.835 0.35 . . . . 0.0 110.222 -177.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -82.49 120.41 25.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 0.0 111.261 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -137.37 109.45 6.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.272 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.1 mmt 68.7 48.1 0.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.964 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 62.54 42.11 99.73 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.515 -0.766 . . . . 0.0 114.058 173.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -157.8 156.27 31.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 117.064 0.432 . . . . 0.0 110.095 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.9 113.63 25.28 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 173.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 69' ' ' ARG . 17.2 m -77.92 161.38 4.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.861 0.363 . . . . 0.0 110.854 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.716 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttm -128.73 120.79 27.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.755 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.793 HG22 HG22 ' A' ' 11' ' ' VAL . 41.4 t -129.99 108.49 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.727 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.634 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 33.1 p30 -126.94 173.43 9.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.605 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.706 ' HE3' ' HB2' ' A' ' 6' ' ' PRO . 89.1 m95 -79.31 110.35 14.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.082 0.468 . . . . 0.0 110.655 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.886 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -87.0 108.24 18.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.858 178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 p -77.61 -162.47 0.31 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.6 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.4 t -68.12 137.26 91.83 Favored Pre-proline 0 N--CA 1.442 -0.844 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 22.5 Cg_exo -66.89 69.92 0.52 Allowed 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 123.094 2.529 . . . . 0.0 112.474 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -79.3 74.46 5.9 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.997 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.606 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . 22.0 t 70.42 3.0 4.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.338 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -88.3 90.95 8.6 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.722 178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt 60.47 76.93 0.34 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.394 -0.821 . . . . 0.0 112.073 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.774 ' HD3' ' H ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -114.08 171.2 7.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.769 173.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -83.93 69.96 10.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.447 0.641 . . . . 0.0 110.414 -174.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.7 m -98.84 93.69 6.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.033 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.3 m . . . . . 0 C--O 1.243 0.744 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.497 173.657 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.82 -23.68 64.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.706 0.765 . . . . 0.0 109.17 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -74.71 -23.45 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.397 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -83.9 -30.66 26.18 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.99 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.6 mtt -124.58 85.26 56.56 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.142 -178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' A' ' 80' ' ' TRP . 83.0 Cg_exo -46.68 -41.73 24.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.855 3.036 . . . . 0.0 113.902 -176.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 75.54 -47.25 0.59 Allowed 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.713 0.633 . . . . 0.0 111.975 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -90.77 140.88 29.37 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.632 HD12 HD23 ' A' ' 63' ' ' LEU . 2.9 mm? -98.29 131.6 44.48 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.825 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 70.1 t80 -99.92 101.24 12.29 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.505 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.722 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 98.3 t -105.55 112.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.932 0.396 . . . . 0.0 110.874 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -113.44 -175.98 19.28 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.644 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 66.37 43.21 2.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 110.915 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 57.9 mt -72.96 147.25 45.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.273 0.558 . . . . 0.0 110.366 175.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.749 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.7 t -110.23 155.75 21.59 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.04 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 10.3 mpt_? -71.95 -9.5 58.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.971 0.415 . . . . 0.0 110.639 -177.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -95.05 -4.86 45.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.913 175.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.749 HG23 ' HB3' ' A' ' 15' ' ' SER . 80.0 t -84.7 125.24 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.483 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.8 t -100.13 147.59 25.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.904 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' HG2' HD23 ' A' ' 24' ' ' LEU . 29.4 tt0 -62.46 -40.77 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.558 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.6 -44.29 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.899 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' H ' HG23 ' A' ' 19' ' ' THR . 52.5 tp -67.98 -48.99 64.27 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.733 -176.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.73 -51.16 73.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.254 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.623 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -64.64 -33.97 77.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.473 -178.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -64.12 -40.81 96.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 110.65 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 35.0 mt -66.68 -36.2 81.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 52.3 m-85 -76.59 -37.66 56.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.79 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 47.8 t -62.72 -25.72 68.32 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.369 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -66.18 -26.94 67.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.751 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.9 mm -94.08 -48.92 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' SER . . . -154.56 179.51 30.63 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.377 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -87.0 124.85 2.19 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 122.964 2.443 . . . . 0.0 112.159 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.8 t -105.34 123.18 47.42 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.623 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 20.3 pttp -77.92 -27.32 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.016 -176.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' OD1' ' HG3' ' A' ' 34' ' ' LYS . 3.8 p-10 -169.71 155.11 5.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.035 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.623 ' HB3' HD11 ' A' ' 24' ' ' LEU . 30.3 p -128.57 149.67 50.52 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 175.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -128.27 106.94 9.37 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.219 0.533 . . . . 0.0 109.889 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 34.5 ttp -103.73 108.18 19.37 Favored 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.877 -177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG13 ' CE2' ' A' ' 48' ' ' TYR . 32.4 mm -80.13 90.94 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.272 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.3 mtm -67.27 120.75 14.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.712 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.53 124.23 22.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.432 0.634 . . . . 0.0 111.832 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 t -102.51 -5.09 24.39 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.049 -175.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.17 -51.7 1.03 Allowed 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 147.97 42.63 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.473 -0.651 . . . . 0.0 111.473 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -110.13 -170.04 1.57 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -176.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.6 t70 -83.18 115.47 59.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.657 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.1 Cg_exo -79.69 130.54 8.8 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.828 2.352 . . . . 0.0 112.145 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 18.6 p90 -139.16 161.01 38.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.028 -177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB2' HD11 ' A' ' 14' ' ' LEU . 49.5 t -135.73 135.22 39.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.44 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -98.59 121.13 40.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.339 176.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 9' ' ' LEU . 12.6 m -113.49 120.7 64.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.062 0.458 . . . . 0.0 110.301 175.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -107.27 114.7 28.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.958 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 62.5 m-85 -92.26 -172.06 3.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.538 176.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.623 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 97.6 m-70 -106.82 -45.03 4.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.005 0.431 . . . . 0.0 110.196 176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -100.68 120.75 40.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.219 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -57.31 -29.83 64.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.715 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.63 -22.03 63.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -80.63 -33.82 35.48 Favored 'General case' 0 CA--C 1.517 -0.305 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.28 90.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.341 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.47 97.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.008 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.84 -38.48 79.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.899 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.53 -36.86 76.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.801 HD22 HG12 ' A' ' 78' ' ' VAL . 2.1 tm? -53.94 -60.43 3.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.469 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.86 -21.86 62.37 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.4 -35.63 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.704 0.288 . . . . 0.0 111.626 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 11.9 tpt -92.03 -29.15 16.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.532 -175.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.7 t30 -67.25 123.7 21.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.7 10.3 67.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.177 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -93.96 128.27 40.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.535 ' HB2' ' HZ2' ' A' ' 70' ' ' LYS . 1.9 ttmp? -94.5 107.11 19.09 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.038 -0.665 . . . . 0.0 110.664 -176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.412 HG22 ' HG2' ' A' ' 72' ' ' MET . 2.6 mp -100.94 123.04 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.581 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.412 ' HG2' HG22 ' A' ' 71' ' ' ILE . 96.9 mmm 69.46 -64.35 0.34 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 124.027 0.829 . . . . 0.0 112.021 177.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 176.64 53.08 0.06 OUTLIER Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HB2' ' HZ2' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -157.57 142.16 16.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -179.17 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -80.04 110.0 15.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.6 m -80.29 168.55 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.149 0.5 . . . . 0.0 111.606 -175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.722 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 52.6 mtmt -131.01 124.93 31.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.456 174.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.801 HG12 HD22 ' A' ' 63' ' ' LEU . 50.3 t -129.05 104.93 12.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.001 0.429 . . . . 0.0 109.846 178.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -125.88 173.73 8.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.4 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.534 ' HB3' ' HG2' ' A' ' 6' ' ' PRO . 86.3 m95 -82.9 120.1 25.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.633 0.254 . . . . 0.0 110.854 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.825 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -97.99 100.55 11.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.917 0.389 . . . . 0.0 109.999 176.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.4 p -73.87 127.09 31.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.239 0.542 . . . . 0.0 111.765 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.2 t -118.53 103.64 48.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 121.662 0.744 . . . . 0.0 109.12 171.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 16.6 Cg_exo -68.52 -16.28 42.66 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.768 2.312 . . . . 0.0 112.968 -173.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 m 57.4 26.07 12.09 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.362 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 m -78.6 -7.34 57.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.02 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -154.43 126.23 7.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.611 0.244 . . . . 0.0 110.614 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -151.12 -1.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.759 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -76.53 83.21 3.22 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.268 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -116.78 113.81 23.08 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -61.29 115.7 4.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.416 -173.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.263 -0.88 . . . . 0.0 108.875 178.217 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.77 0.319 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.63 ' HB3' ' HB ' ' A' ' 83' ' ' THR . 2.1 mp0 -68.97 -42.95 75.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.116 0.484 . . . . 0.0 110.818 -175.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' HA ' HG22 ' A' ' 82' ' ' THR . 7.0 p-10 -87.98 -17.93 30.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.176 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -95.28 -40.61 9.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.974 0.416 . . . . 0.0 110.932 -175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.2 mtt -121.39 84.21 41.19 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.555 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.485 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 11.1 Cg_endo -58.39 103.11 0.15 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.375 2.05 . . . . 0.0 111.46 176.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -88.38 -3.56 58.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.109 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.8 m -107.64 137.3 45.9 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.27 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.6 mm? -104.54 131.95 51.35 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.778 -0.452 . . . . 0.0 109.778 175.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.841 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.1 t80 -93.24 100.31 12.7 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.871 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 78' ' ' VAL . 50.2 t -102.46 114.63 42.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.834 0.349 . . . . 0.0 110.49 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -103.2 175.43 23.84 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.472 176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.751 ' HA ' ' OD1' ' A' ' 46' ' ' ASP . 6.1 m-20 72.73 59.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.165 0.507 . . . . 0.0 111.289 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.705 HD11 ' HB2' ' A' ' 49' ' ' CYS . 61.3 mt -86.66 178.72 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.321 0.581 . . . . 0.0 110.973 176.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.837 ' HB3' HG23 ' A' ' 18' ' ' VAL . 30.7 t -149.3 160.03 43.75 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.215 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HD3' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -70.95 -9.82 58.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.174 0.511 . . . . 0.0 109.724 175.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -98.56 2.21 47.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.663 0.744 . . . . 0.0 109.898 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.837 HG23 ' HB3' ' A' ' 15' ' ' SER . 82.1 t -104.15 110.95 31.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.393 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -91.28 147.24 23.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' HB2' ' HE3' ' A' ' 38' ' ' MET . 33.5 tt0 -59.83 -35.83 75.56 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.366 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.41 -34.06 73.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.047 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 61.1 tp -74.9 -53.28 9.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.367 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.7 mm -53.79 -52.78 31.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.109 -179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.3 mm? -63.51 -41.0 98.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.426 -177.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -64.1 -40.49 96.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.624 0.25 . . . . 0.0 110.675 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 39.3 mt -60.83 -45.0 96.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.62 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.586 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 54.3 m-85 -71.31 -30.48 66.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.237 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.1 m -64.33 -29.96 71.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.853 0.359 . . . . 0.0 110.545 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 -26.57 65.42 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 47.4 mm -85.91 -53.39 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.423 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -148.93 157.33 27.22 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.427 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.62 116.05 3.08 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.566 2.177 . . . . 0.0 111.709 177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 77.2 m -84.35 145.02 28.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.7 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.4 tttm -112.83 -39.66 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.662 -174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 52' ' ' GLU . 4.3 t-20 -146.29 151.64 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.613 0.244 . . . . 0.0 110.421 -176.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.574 ' HB3' HD11 ' A' ' 24' ' ' LEU . 23.8 p -141.46 130.43 23.18 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.579 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -141.28 112.91 7.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.027 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.514 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 15.1 ptp -85.72 142.59 28.89 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 171.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 50.0 mm -113.47 129.78 68.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.839 0.352 . . . . 0.0 110.341 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.4 ptm -101.55 131.11 47.9 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.228 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -128.17 129.8 47.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.077 0.465 . . . . 0.0 110.956 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.1 t -101.33 6.05 42.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.706 0.765 . . . . 0.0 109.537 173.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.38 -174.27 4.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.929 -176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.42 46.39 3.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.486 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.91 160.15 40.44 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.751 ' OD1' ' HA ' ' A' ' 13' ' ' ASN . 10.0 t70 -93.47 132.54 30.01 Favored Pre-proline 0 C--N 1.317 -0.813 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -56.15 149.93 51.24 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.596 2.864 . . . . 0.0 113.854 -173.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -132.25 165.84 23.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.216 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.705 ' HB2' HD11 ' A' ' 14' ' ' LEU . 47.7 t -136.71 146.15 45.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.913 0.387 . . . . 0.0 110.993 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -106.82 116.14 31.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.239 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.4 m -114.39 121.42 66.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.973 0.416 . . . . 0.0 110.429 176.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 35' ' ' ASN . 45.0 tt0 -105.23 133.01 50.71 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.717 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 10.5 m-85 -102.46 157.63 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.695 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -80.21 -31.83 38.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 170.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.447 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 2.3 tm-20 -115.47 111.47 20.81 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.359 -170.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -71.31 -34.25 70.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.757 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 12.2 tpt180 -64.12 -34.38 77.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.084 0.468 . . . . 0.0 110.502 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.3 m80 -77.14 -28.02 54.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.346 177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.709 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -63.58 -29.53 70.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.381 177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.1 -45.67 90.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.772 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 -40.44 96.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.528 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -42.96 99.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.596 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.564 HD23 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -55.59 -54.47 43.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.339 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.95 75.18 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.1 -40.29 31.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.2 mmm -86.69 -20.25 28.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.02 115.98 8.14 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.427 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.24 10.13 58.65 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.529 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -72.88 155.39 39.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -105.88 101.16 10.68 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.507 HD12 HG11 ' A' ' 76' ' ' VAL . 73.1 mt -118.86 116.88 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.877 -175.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.2 mmt 59.62 34.82 22.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.816 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.31 12.19 84.81 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.819 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -123.48 137.96 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 110.02 21.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.133 0.492 . . . . 0.0 110.516 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.507 HG11 HD12 ' A' ' 71' ' ' ILE . 17.4 m -78.99 151.04 5.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.74 -177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -131.05 121.62 25.33 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 110.545 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 11' ' ' VAL . 21.3 t -112.91 129.27 68.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.577 -174.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -134.36 163.08 30.47 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.505 ' CE2' ' HG ' ' A' ' 63' ' ' LEU . 94.3 m95 -72.67 108.5 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.681 0.277 . . . . 0.0 110.848 -178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.841 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -89.85 98.51 11.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 0.0 110.316 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -68.73 154.2 42.39 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.745 178.009 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.63 ' HB ' ' HB3' ' A' ' 2' ' ' GLU . 9.8 m -107.64 105.52 56.26 Favored Pre-proline 0 N--CA 1.441 -0.877 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.961 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.534 ' HD2' ' HG2' ' A' ' 87' ' ' GLN . 8.2 Cg_exo -73.16 72.95 3.3 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.127 2.552 . . . . 0.0 111.276 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 t 68.12 -78.08 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.362 -177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.5 m -146.47 10.11 1.09 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.673 0.273 . . . . 0.0 110.473 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.534 ' HG2' ' HD2' ' A' ' 84' ' ' PRO . 22.0 mt-30 65.98 178.72 0.21 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.953 -178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -122.8 75.13 1.25 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -75.83 59.94 1.28 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.375 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -85.5 -22.66 28.09 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.8 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 p -81.04 -32.17 34.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.536 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.648 -0.691 . . . . 0.0 110.311 -179.531 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.489 1.506 0 CA-C-O 121.303 0.573 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.634 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.6 OUTLIER -76.4 -21.29 56.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.94 177.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.443 ' HA ' ' HB ' ' A' ' 82' ' ' THR . 31.2 t70 -77.96 -19.0 55.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.791 173.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -85.86 -45.32 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.144 177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.3 mtp -120.09 84.84 34.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.09 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.785 ' HG3' ' HB3' ' A' ' 80' ' ' TRP . 29.0 Cg_endo -63.11 -47.25 8.55 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 113.616 -175.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 6' ' ' PRO . 48.7 mtpt 73.17 -44.29 0.59 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.392 0.677 . . . . 0.0 111.826 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 m -80.15 125.89 30.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.596 178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.662 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.4 mm? -92.33 132.53 36.65 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.976 0.417 . . . . 0.0 110.191 176.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.635 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 33.2 t80 -99.48 109.31 21.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.716 179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.544 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 46.2 t -111.02 122.07 64.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.76 178.42 16.94 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.248 -0.977 . . . . 0.0 112.714 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.524 ' HA ' ' HB3' ' A' ' 46' ' ' ASP . 11.2 m120 70.92 30.15 2.88 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.171 0.589 . . . . 0.0 111.545 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.541 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.6 mm? -70.55 167.8 17.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.688 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.401 ' OG ' ' HG3' ' A' ' 74' ' ' LYS . 49.9 m -147.48 150.65 34.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -6.92 10.61 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.6 -24.06 58.82 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.209 172.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.9 t -82.71 125.44 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.182 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.1 t -84.82 143.57 29.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.548 0.689 . . . . 0.0 110.553 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -68.08 -24.87 65.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.348 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.62 94.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.211 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 59.4 tp -69.79 -50.74 40.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.406 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.8 mm -55.45 -52.65 44.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.042 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 28' ' ' SER . 4.3 mm? -61.09 -41.67 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -178.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -65.75 -45.44 82.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.161 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 32.9 mt -57.58 -37.71 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.821 -177.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.463 ' HZ ' HG21 ' A' ' 11' ' ' VAL . 36.8 m-85 -85.61 -27.52 25.4 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.949 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 8.5 t -67.3 -33.79 76.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -177.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -70.73 -19.3 62.75 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.133 0.492 . . . . 0.0 110.652 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 42.6 mm -89.26 -45.33 15.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.711 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 58' ' ' HIS . . . -168.79 163.98 37.66 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.787 176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.613 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 23.5 Cg_exo -64.83 113.82 2.51 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.45 2.1 . . . . 0.0 112.035 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.6 p -93.32 113.62 25.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.141 178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.46 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 20.8 tptp -88.16 -32.14 18.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -174.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.77 ' HB2' ' HB2' ' A' ' 52' ' ' GLU . 95.9 m-20 -127.49 137.89 52.79 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.876 0.369 . . . . 0.0 110.689 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' HB3' HD11 ' A' ' 24' ' ' LEU . 4.2 p -125.33 105.02 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.98 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.725 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.3 mmtp -102.9 107.15 17.88 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.232 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.4 ttp -107.57 99.29 8.8 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 34.5 mm -85.62 86.71 2.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.231 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.9 ptm -99.12 133.62 43.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.43 176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -145.12 170.16 16.76 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -92.58 -8.8 43.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.162 0.506 . . . . 0.0 110.432 -175.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -138.46 155.35 48.54 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.374 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.57 -143.34 14.5 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 8.9 m120 -107.48 -88.79 0.46 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.59 0.71 . . . . 0.0 110.072 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 13' ' ' ASN . 3.3 m-20 -133.92 137.98 29.71 Favored Pre-proline 0 C--N 1.312 -1.034 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.864 175.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.81 150.22 23.29 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.619 2.213 . . . . 0.0 112.111 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' HA ' HD23 ' A' ' 14' ' ' LEU . 15.8 p90 -139.63 161.63 37.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 -177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.605 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 49.9 t -128.9 136.6 50.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.059 0.457 . . . . 0.0 111.512 -174.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.725 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.1 m-85 -107.73 122.5 46.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.049 172.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.4 122.83 70.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.898 -179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -87.44 115.11 24.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 177.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.509 ' CE2' HD23 ' A' ' 9' ' ' LEU . 21.5 m-85 -98.48 130.77 45.08 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.613 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 84.4 m-70 -60.76 -31.6 70.93 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.328 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -120.81 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.541 -177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -77.73 -27.65 50.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.818 -175.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -64.03 -47.35 80.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.71 0.29 . . . . 0.0 111.465 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.58 ' CE1' ' HA3' ' A' ' 31' ' ' GLY . 3.3 p-80 -76.9 -9.7 58.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.112 0.482 . . . . 0.0 110.403 -176.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.662 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.16 -31.0 72.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.408 0.623 . . . . 0.0 110.353 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.16 -29.67 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.549 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 -38.67 84.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.877 -178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.69 -36.46 62.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.606 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.617 HD12 HG12 ' A' ' 78' ' ' VAL . 7.6 tp -56.19 -57.7 11.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.058 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.08 -15.2 62.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.155 -172.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.3 6.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.756 0.312 . . . . 0.0 111.481 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -88.49 -23.58 23.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -172.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.493 ' HA ' HG23 ' A' ' 78' ' ' VAL . 55.6 t30 -62.16 120.96 11.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.737 0.304 . . . . 0.0 111.136 -176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.75 10.89 75.23 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.888 -0.672 . . . . 0.0 113.013 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' O ' HG22 ' A' ' 76' ' ' VAL . 65.0 ttt180 -88.22 140.61 29.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.051 0.453 . . . . 0.0 110.599 -176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -80.0 110.61 15.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.502 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.55 HG22 ' HG2' ' A' ' 72' ' ' MET . 65.6 mt -120.71 123.92 71.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.672 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.55 ' HG2' HG22 ' A' ' 71' ' ' ILE . 23.6 mmt 68.41 -80.04 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.255 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -153.05 20.13 0.75 Allowed Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HG3' ' OG ' ' A' ' 15' ' ' SER . 4.5 mmmp? -141.4 158.31 44.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.138 0.494 . . . . 0.0 111.262 -177.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -94.19 120.2 34.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.333 173.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 71' ' ' ILE . 23.0 m -85.62 152.63 3.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.023 0.439 . . . . 0.0 110.53 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.3 mttm -130.27 128.53 41.76 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.964 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.617 HG12 HD12 ' A' ' 63' ' ' LEU . 10.3 t -117.33 123.31 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.43 -177.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -132.02 165.26 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.507 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.785 ' HB3' ' HG3' ' A' ' 6' ' ' PRO . 42.8 m0 -80.56 112.61 18.07 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.424 176.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -76.02 92.1 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.514 0.674 . . . . 0.0 109.694 177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 3' ' ' ASP . 17.3 p -98.17 143.63 28.48 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.726 -176.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 54.0 m -96.49 105.14 20.73 Favored Pre-proline 0 N--CA 1.443 -0.778 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -73.04 81.75 1.64 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.088 2.525 . . . . 0.0 112.253 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.7 t -81.16 67.98 7.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.427 0.632 . . . . 0.0 109.807 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.8 p -84.65 27.12 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.982 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -87.04 55.73 3.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.383 0.611 . . . . 0.0 110.352 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -166.8 89.47 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.9 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -84.17 66.35 9.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.065 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -110.95 83.58 1.78 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 171.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.7 t -108.25 137.06 46.87 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.017 -173.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.58 -0.724 . . . . 0.0 109.322 177.813 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.484 1.271 0 N-CA-C 110.468 -0.197 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 85' ' ' SER . 39.8 mt-10 -74.38 -24.12 59.08 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.683 0.754 . . . . 0.0 109.987 179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -79.86 0.01 32.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.25 177.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -116.78 -8.5 11.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.006 -173.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.1 mtt -121.7 85.07 43.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -172.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HB3' ' HB3' ' A' ' 80' ' ' TRP . 46.3 Cg_endo -71.92 90.6 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.065 1.843 . . . . 0.0 111.122 169.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -89.21 -7.65 55.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.635 0.731 . . . . 0.0 109.864 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.1 m -121.95 134.24 54.84 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.531 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.825 HD12 HD23 ' A' ' 63' ' ' LEU . 3.0 mm? -100.14 139.79 35.31 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.86 0.362 . . . . 0.0 110.492 -178.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.697 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 33.1 t80 -103.44 105.64 15.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.793 -178.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.74 HG22 HG22 ' A' ' 78' ' ' VAL . 60.7 t -105.18 112.74 40.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -102.96 170.61 20.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.426 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 73.03 40.53 0.55 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.402 0.681 . . . . 0.0 111.645 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 49' ' ' CYS . 57.9 mt -79.62 145.65 32.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.14 0.495 . . . . 0.0 109.921 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.601 ' HB3' HG23 ' A' ' 18' ' ' VAL . 48.2 t -94.7 167.7 11.29 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.443 176.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.667 ' HA ' ' NH1' ' A' ' 16' ' ' ARG . 7.2 mmm180 -80.5 -6.74 58.62 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.517 0.675 . . . . 0.0 109.339 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -96.76 -1.26 46.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.425 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG23 ' HB3' ' A' ' 15' ' ' SER . 88.3 t -85.33 126.74 40.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.864 -179.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.0 t -98.15 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.934 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -67.56 -41.32 84.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.056 -176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.06 -37.95 69.99 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.875 -176.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 6.7 tt -69.68 -49.87 49.36 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.921 -177.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.43 HD11 HG11 ' A' ' 18' ' ' VAL . 51.4 mm -54.27 -58.05 4.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.737 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 36' ' ' CYS . 6.6 tp -56.89 -42.34 79.68 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.626 -174.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.27 -42.49 96.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.142 -177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 22.2 mt -60.82 -38.41 85.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.576 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 80.6 m-85 -82.87 -32.98 27.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.2 m -65.28 -22.4 66.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.804 0.335 . . . . 0.0 110.603 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -60.62 -34.63 74.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.178 173.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 34.2 mm -92.87 -53.06 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.911 -176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.29 160.39 28.17 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.943 -176.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.2 112.34 2.05 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.944 2.43 . . . . 0.0 111.74 178.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.2 m -95.32 140.18 30.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.308 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 52.9 tptt -108.06 -43.68 4.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.368 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -129.03 140.68 51.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.205 0.526 . . . . 0.0 110.907 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.52 ' HB2' HD13 ' A' ' 24' ' ' LEU . 49.2 t -128.26 104.57 7.81 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.239 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 27.1 tttp -93.86 141.39 28.56 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.809 -177.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 84.5 mtp -124.3 104.11 8.61 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.757 -175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.444 HD11 ' HD3' ' A' ' 37' ' ' LYS . 38.2 mm -86.04 99.04 7.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.277 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.6 ptt? -106.32 110.16 22.31 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.355 0.597 . . . . 0.0 110.412 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -97.14 -177.69 3.94 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -77.67 -37.6 49.38 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.381 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.65 174.41 0.82 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.302 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.39 -107.66 1.18 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -86.47 155.06 20.69 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 12.1 m-20 -66.2 135.4 94.99 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 94.0 Cg_exo -47.05 155.05 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 124.072 3.181 . . . . 0.0 114.206 -176.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 11.3 p90 -130.9 151.49 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.391 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.644 ' HB2' HD11 ' A' ' 14' ' ' LEU . 46.1 t -117.48 143.27 46.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.391 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.592 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 76.5 m-85 -111.17 109.74 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.742 174.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 m -104.91 125.93 59.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -106.3 123.13 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 15.9 m-85 -96.61 165.36 12.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.426 ' NE2' ' HB2' ' A' ' 34' ' ' LYS . 93.2 m-70 -89.02 -7.78 55.27 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.214 171.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' OE1' ' HB2' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -143.19 112.31 6.65 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.649 -169.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -68.24 -33.4 74.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.766 -176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.407 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 76.8 mtt180 -70.15 -31.98 69.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.134 0.492 . . . . 0.0 110.298 -176.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.85 -34.73 39.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.842 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.81 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.38 -40.37 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.597 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.81 90.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.04 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.34 87.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.601 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.658 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.825 HD23 HD12 ' A' ' 9' ' ' LEU . 3.2 tm? -54.01 -58.52 7.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.214 177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 -19.7 59.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.002 -174.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.98 -35.12 17.8 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.436 ' CE ' ' HB3' ' A' ' 26' ' ' LEU . 31.4 tpp -97.08 -24.06 15.94 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -64.59 111.16 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.425 -179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.99 6.21 30.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.389 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -76.81 157.32 31.62 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' A' ' 75' ' ' GLU . 82.6 tttt -117.48 118.22 31.58 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.912 0.386 . . . . 0.0 110.164 -178.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.466 HG22 ' HG2' ' A' ' 72' ' ' MET . 72.1 mt -126.84 118.26 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.636 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.466 ' HG2' HG22 ' A' ' 71' ' ' ILE . 22.2 mmt 61.21 35.31 18.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.253 177.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.02 -18.58 57.17 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.375 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 15' ' ' SER . 29.8 mtpp -110.19 135.14 51.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.019 0.409 . . . . 0.0 111.314 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 54.3 mt-10 -84.88 119.43 25.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.004 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.41 HG11 HD12 ' A' ' 71' ' ' ILE . 19.0 m -76.73 155.7 5.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.233 -175.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -130.78 111.29 12.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.98 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.74 HG22 HG22 ' A' ' 11' ' ' VAL . 11.7 t -106.32 116.63 50.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.149 -175.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -125.31 168.31 13.7 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.294 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 6' ' ' PRO . 5.1 m0 -68.31 123.29 20.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -96.68 90.63 5.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 171.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.0 p -96.74 161.03 14.05 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.285 -176.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 m -112.24 111.28 52.94 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.55 174.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -62.06 95.13 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.12 2.547 . . . . 0.0 112.145 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.583 ' HB2' ' HB2' ' A' ' 2' ' ' GLU . 14.9 t -86.11 70.52 10.58 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.76 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.9 m -72.03 85.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.649 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -89.17 -48.56 7.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.677 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.449 ' HB3' ' HE2' ' A' ' 88' ' ' LYS . 14.2 ptpt -83.49 69.27 10.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.107 0.955 . . . . 0.0 110.746 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -137.06 -51.09 0.66 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.007 176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -110.48 -161.29 0.75 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.82 -1.082 . . . . 0.0 108.734 173.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.9 m 64.7 92.58 0.07 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.109 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.289 -174.483 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 121.045 0.45 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.9 OUTLIER -67.2 -30.18 70.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.487 0.66 . . . . 0.0 110.417 178.041 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -75.94 -5.66 47.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.47 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -112.72 3.91 16.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.184 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 78.3 mtp -131.29 70.93 82.05 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.736 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' C ' ' H ' ' A' ' 8' ' ' THR . 9.7 Cg_endo -55.87 -55.5 2.91 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.502 2.135 . . . . 0.0 112.901 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 71.25 -14.94 0.44 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.135 0.574 . . . . 0.0 111.493 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.44 ' H ' ' C ' ' A' ' 6' ' ' PRO . 16.3 m -109.34 134.01 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.014 178.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -103.29 134.57 46.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.069 0.462 . . . . 0.0 110.338 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.908 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 69.6 t80 -95.61 109.42 21.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.693 178.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.707 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 96.7 t -106.84 124.99 62.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.761 176.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.34 178.7 16.39 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.103 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.588 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 12.5 m120 65.96 34.76 6.89 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 122.981 0.512 . . . . 0.0 111.027 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -68.1 148.26 51.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.798 ' HB2' HG23 ' A' ' 18' ' ' VAL . 6.2 m -114.18 155.0 26.87 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.537 -177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.0 mpt_? -75.85 -16.14 60.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.423 0.63 . . . . 0.0 110.102 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -93.37 4.66 53.6 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.481 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.798 HG23 ' HB2' ' A' ' 15' ' ' SER . 74.7 t -89.59 129.26 40.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.508 174.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.573 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.1 t -96.65 148.06 23.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.772 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG2' HD23 ' A' ' 24' ' ' LEU . 31.1 tt0 -58.38 -36.93 74.27 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.167 177.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.63 69.79 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.353 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.617 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 62.2 tp -71.73 -55.53 7.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.993 -179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.46 -47.51 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.909 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 20' ' ' GLU . 3.4 mm? -56.92 -45.81 82.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -67.26 -41.25 85.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.138 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 33.9 mt -58.16 -43.77 87.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.206 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 75.8 m-85 -82.92 -28.91 29.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.4 t -61.24 -31.18 70.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.111 0.481 . . . . 0.0 110.222 175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.37 -28.0 69.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.613 179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.46 -50.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.057 -176.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.54 153.24 24.67 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.034 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.73 ' HD2' ' HG3' ' A' ' 55' ' ' GLU . 66.9 Cg_exo -53.37 113.82 1.47 Allowed 'Trans proline' 0 C--O 1.239 0.556 0 C-N-CA 123.031 2.487 . . . . 0.0 112.223 174.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.3 m -78.94 136.05 37.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.775 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -88.87 -49.29 6.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.557 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -164.99 150.36 9.61 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.491 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' A' ' 51' ' ' VAL . 61.7 m -131.17 111.38 11.9 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' O ' ' HA ' ' A' ' 49' ' ' CYS . 13.4 mmmm -97.67 107.0 19.41 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.371 -177.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -90.05 100.08 12.97 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.548 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 48.8 mm -76.47 109.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.258 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.41 128.56 36.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.395 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 43' ' ' ALA . 2.1 p-10 -102.12 -163.72 1.03 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.007 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.2 p -67.36 1.9 1.98 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' H ' ' CG ' ' A' ' 41' ' ' ASP . . . 75.71 -13.56 0.86 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.122 0.969 . . . . 0.0 111.242 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.56 6.01 18.72 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.606 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.27 -140.42 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 16.8 t70 -118.38 114.92 36.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.423 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.2 Cg_exo -78.84 146.74 21.01 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.252 2.635 . . . . 0.0 111.803 178.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' HA ' HD23 ' A' ' 14' ' ' LEU . 8.0 p90 -137.19 152.11 49.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.006 0.431 . . . . 0.0 111.084 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 46.7 t -125.02 139.21 54.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.013 -175.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 88.3 m-85 -108.14 106.67 16.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.984 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 9' ' ' LEU . 22.4 m -104.37 124.13 58.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.164 0.507 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -102.28 143.45 32.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.358 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 44.6 m-85 -116.73 155.12 29.43 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.877 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -87.48 -8.13 56.81 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 169.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.73 ' HG3' ' HD2' ' A' ' 32' ' ' PRO . 36.6 mm-40 -118.08 93.53 4.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.673 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -65.35 -29.31 70.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 tpp180 -68.37 -37.4 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.507 177.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' HB2' ' CB ' ' A' ' 55' ' ' GLU . 17.3 m80 -84.36 -26.08 28.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.619 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -56.53 -38.24 71.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.122 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.61 96.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.329 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.21 -38.31 85.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.945 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.54 98.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 78' ' ' VAL . 9.2 tt -61.59 -41.58 97.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.264 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.38 -34.65 72.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.078 -176.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.8 -30.8 17.73 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -174.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -96.72 -25.51 15.5 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -172.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.563 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 9.5 t30 -74.4 138.85 43.63 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.472 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.28 10.18 85.02 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.539 ' HE ' ' HA ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -98.13 159.6 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -176.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 28.2 ttpt -97.38 102.24 13.96 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.55 HD12 HG11 ' A' ' 76' ' ' VAL . 65.5 mt -101.5 120.5 51.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.4 mmm 68.25 -71.42 0.11 Allowed 'General case' 0 N--CA 1.467 0.422 0 O-C-N 123.956 0.785 . . . . 0.0 110.713 -176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -173.5 34.83 0.12 Allowed Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE3' ' OG ' ' A' ' 15' ' ' SER . 2.1 tppt? -135.79 149.77 49.23 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 -175.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -85.71 108.63 18.14 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.55 HG11 HD12 ' A' ' 71' ' ' ILE . 17.3 m -88.85 168.65 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.491 0.663 . . . . 0.0 112.351 -168.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.707 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 42.9 mmtm -133.58 122.39 23.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.068 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.563 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 45.1 t -126.36 98.53 4.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.03 165.26 14.34 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.919 -175.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 4.0 p-90 -86.72 112.26 21.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.908 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -91.05 115.18 27.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.984 -175.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.421 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 1.3 p -90.91 171.71 9.11 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.431 176.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 32.8 p -88.04 110.77 38.12 Favored Pre-proline 0 N--CA 1.447 -0.61 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.846 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 82' ' ' THR . 7.9 Cg_exo -72.4 88.76 0.84 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.999 2.466 . . . . 0.0 111.044 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.4 p -77.97 43.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.407 -173.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t -122.73 36.49 4.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.696 0.76 . . . . 0.0 108.957 177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -123.94 -177.38 3.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.379 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm 70.43 -48.36 0.64 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.655 0.782 . . . . 0.0 112.318 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -99.83 -29.07 12.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.809 0.338 . . . . 0.0 110.884 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.12 -29.6 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.47 0.653 . . . . 0.0 110.515 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.1 t -147.38 154.78 41.3 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.389 -177.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.248 0.985 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 179.389 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.881 0.372 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -20.17 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.571 0.701 . . . . 0.0 109.744 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -80.81 -6.22 58.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.801 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -77.49 -6.45 53.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.0 mtt -121.96 71.31 31.18 Favored Pre-proline 0 C--N 1.327 -0.391 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.27 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.834 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 26.8 Cg_endo -63.93 -58.99 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.208 1.939 . . . . 0.0 111.483 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 32.9 mtmm 73.82 -9.18 1.26 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.16 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.4 m -92.89 120.05 32.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.471 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.449 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.4 mm? -95.37 128.32 42.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.596 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 42.0 t80 -95.2 117.33 30.05 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.419 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 78' ' ' VAL . 48.6 t -115.42 121.21 66.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.335 178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -106.66 168.99 14.86 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.977 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.7 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 93.2 m-20 75.87 49.86 0.07 Allowed 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.316 0.647 . . . . 0.0 112.088 176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.84 HD11 ' HB2' ' A' ' 49' ' ' CYS . 62.6 mt -88.84 177.59 6.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.15 0.5 . . . . 0.0 110.454 174.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.2 t -148.59 167.31 25.77 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.608 ' HD2' ' H ' ' A' ' 16' ' ' ARG . 4.6 mpt_? -68.92 -23.9 64.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.385 0.612 . . . . 0.0 109.5 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.31 -28.94 67.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.245 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.1 t -73.91 123.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.618 -176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.2 t -92.34 146.28 23.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.705 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.09 -35.11 74.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.367 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.63 -36.89 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.963 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 67.7 tp -68.49 -53.53 22.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.278 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.2 mm -58.7 -53.87 41.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -63.49 -37.64 88.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.285 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -63.29 -44.4 95.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 110.892 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 29.3 mt -62.98 -43.93 97.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.712 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.451 ' CZ ' ' HG2' ' A' ' 66' ' ' MET . 37.6 m-85 -68.96 -35.7 77.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.298 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.2 m -61.58 -30.11 70.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.753 0.311 . . . . 0.0 111.139 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -69.28 -27.92 65.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.412 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.4 mm -90.59 -53.16 9.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.721 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.22 160.86 28.59 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 37.1 Cg_endo -66.25 116.16 3.88 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.631 2.221 . . . . 0.0 112.136 177.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.0 p -90.26 125.05 35.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.018 0.437 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -87.12 -40.37 14.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.267 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -159.89 153.19 22.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' HD11 ' A' ' 24' ' ' LEU . 13.8 p -126.28 147.08 49.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.153 0.502 . . . . 0.0 111.368 -176.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.82 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 42.7 mmtm -123.58 110.03 14.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.384 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 49.1 ttm -95.53 99.32 11.22 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.0 mm -110.8 84.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.243 0.544 . . . . 0.0 110.482 -177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.509 ' HA ' ' HB3' ' A' ' 47' ' ' PRO . 63.7 mtt -85.77 86.23 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.07 131.17 49.71 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.738 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.4 t -101.88 -9.47 20.7 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.555 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.28 -33.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.6 -99.65 0.72 Allowed Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.757 -0.735 . . . . 0.0 113.126 -175.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.34 -172.06 1.96 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.525 0.202 . . . . 0.0 110.95 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.7 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 30.7 t70 -71.31 132.59 85.89 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.509 ' HB3' ' HA ' ' A' ' 40' ' ' MET . 54.5 Cg_exo -38.17 132.31 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.369 3.379 . . . . 0.0 114.41 -175.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -132.06 166.29 22.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.718 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.84 ' HB2' HD11 ' A' ' 14' ' ' LEU . 49.6 t -135.85 141.74 44.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.115 0.483 . . . . 0.0 111.126 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.82 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 95.8 m-85 -109.99 139.15 45.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 171.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.32 112.87 8.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-O 121.492 0.663 . . . . 0.0 110.715 176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.99 117.92 25.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.682 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -89.93 157.97 17.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.03 0.443 . . . . 0.0 111.059 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.584 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 90.0 m-70 -81.6 -14.43 56.77 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.745 174.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.532 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.6 OUTLIER -141.89 124.33 15.74 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.839 -165.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.407 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 73.0 t60 -78.43 -34.81 47.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.994 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.532 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 42.1 ttm180 -67.64 -32.87 73.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.018 0.437 . . . . 0.0 110.582 -175.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -77.83 -31.09 51.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.342 0.592 . . . . 0.0 109.758 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -66.62 -23.08 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.629 177.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.03 -42.6 80.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.448 176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.06 -35.42 76.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.243 178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.01 -34.65 76.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.46 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.496 HD21 ' HA ' ' A' ' 79' ' ' ASN . 0.4 OUTLIER -62.11 -43.95 97.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.398 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.56 -35.19 27.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.208 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.19 -33.36 19.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.451 ' HG2' ' CZ ' ' A' ' 27' ' ' PHE . 13.9 tpt -87.83 -40.12 14.28 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.745 -176.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.559 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 3.0 t-20 -74.65 110.33 8.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.68 -7.33 13.59 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.368 -174.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HA ' ' NE ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -71.61 165.93 22.91 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -121.1 119.84 33.59 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.86 -0.736 . . . . 0.0 110.881 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.5 mt -137.95 118.88 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.22 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 85.9 mmm 56.15 32.82 20.87 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.129 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 66.26 20.96 69.83 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.892 175.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -122.2 148.34 45.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.341 0.57 . . . . 0.0 110.407 177.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.59 109.22 7.89 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.793 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 76' ' ' VAL . 30.3 m -74.12 108.06 5.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.902 0.858 . . . . 0.0 109.884 175.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 16.0 mmtm -102.6 109.12 20.63 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.586 -176.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.852 HG22 HG22 ' A' ' 11' ' ' VAL . 26.1 t -115.85 117.03 54.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.646 -174.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.496 ' HA ' HD21 ' A' ' 63' ' ' LEU . 10.2 p30 -128.88 158.33 39.06 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.468 ' HE3' HG23 ' A' ' 82' ' ' THR . 6.4 p-90 -85.62 103.27 14.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.331 0.586 . . . . 0.0 110.469 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.2 95.52 7.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.691 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.834 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 7.9 p -70.54 150.47 46.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.906 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.0 p -98.78 104.1 22.98 Favored Pre-proline 0 N--CA 1.442 -0.837 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.3 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.14 33.23 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.167 2.578 . . . . 0.0 112.518 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 p 46.93 39.31 7.35 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 123.379 0.672 . . . . 0.0 111.541 -176.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 t -95.02 74.93 3.49 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -94.02 115.63 27.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.329 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -91.54 54.67 2.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.461 0.648 . . . . 0.0 109.773 174.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -100.6 -22.97 14.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.726 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -58.09 123.75 16.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.656 174.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.9 m -82.22 110.12 17.12 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.802 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.525 -0.75 . . . . 0.0 109.803 176.115 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 121.377 0.608 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.52 -31.1 57.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.636 -175.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.521 ' HA ' ' CG2' ' A' ' 82' ' ' THR . 13.9 t70 -63.6 -34.64 78.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.501 0.667 . . . . 0.0 110.157 176.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -66.52 -22.04 66.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.832 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.4 mtp -130.09 72.0 82.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.678 -171.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -72.76 -45.94 0.47 Allowed 'Trans proline' 0 CA--C 1.532 0.403 0 C-N-CA 122.432 2.088 . . . . 0.0 112.505 177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mttp 70.61 -54.89 0.64 Allowed 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.895 0.878 . . . . 0.0 112.468 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.4 m -82.88 139.53 33.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.989 0.423 . . . . 0.0 111.605 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.69 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.6 mm? -93.84 138.83 31.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.787 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 51.7 t80 -104.81 105.59 15.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.59 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.752 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 66.1 t -111.43 112.82 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.828 0.347 . . . . 0.0 110.73 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -111.58 -170.01 18.75 Favored Glycine 0 C--O 1.237 0.33 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.788 -177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 43.24 9.01 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 123.027 0.531 . . . . 0.0 111.205 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 30.6 mt -69.97 157.4 37.55 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.457 . . . . 0.0 111.28 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB2' HG23 ' A' ' 18' ' ' VAL . 50.0 m -131.57 158.85 39.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.26 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -41.47 84.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.614 0.245 . . . . 0.0 111.546 -175.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -78.48 -0.79 30.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.369 . . . . 0.0 111.191 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 15' ' ' SER . 86.8 t -88.12 109.03 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.692 HG23 ' H ' ' A' ' 22' ' ' LEU . 12.0 t -88.34 144.63 26.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.303 0.573 . . . . 0.0 111.017 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -56.51 -39.87 74.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.822 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.86 80.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.784 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.692 ' H ' HG23 ' A' ' 19' ' ' THR . 67.5 tp -68.26 -52.72 30.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.838 -177.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.6 mm -52.26 -53.95 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.664 0.602 . . . . 0.0 111.334 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -62.32 -38.97 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.541 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -59.92 -43.91 94.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.16 -43.17 99.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 45.3 m-85 -70.34 -33.02 70.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.14 178.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -66.29 -24.69 66.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.727 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -73.9 -25.37 59.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.012 0.434 . . . . 0.0 110.324 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.9 mm -85.98 -51.32 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.414 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.89 -179.21 23.71 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.025 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 6.1 Cg_exo -78.55 107.54 2.3 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.816 2.344 . . . . 0.0 111.738 179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.4 p -73.41 121.22 20.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.313 0.578 . . . . 0.0 110.549 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -84.47 -57.34 3.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' HB3' ' OE2' ' A' ' 52' ' ' GLU . 53.7 t30 -153.72 159.38 41.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.553 -0.748 . . . . 0.0 109.817 -171.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.406 ' HB3' HD11 ' A' ' 24' ' ' LEU . 8.2 p -126.84 107.16 9.87 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.245 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 24.9 mmmt -89.09 104.82 17.34 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 177.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 47.3 ttm -100.26 107.87 19.79 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.348 -176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.3 mm -105.98 100.67 11.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.276 -177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.4 mtp -92.59 121.15 33.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -88.53 147.07 24.81 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.689 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -101.58 -17.98 16.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.854 174.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.28 42.66 0.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 -177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.5 -71.09 0.74 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.442 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.7 t30 174.69 -56.54 0.01 OUTLIER 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.595 0.712 . . . . 0.0 109.968 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 7.2 p-10 -150.14 144.44 17.56 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 114.475 -1.239 . . . . 0.0 109.951 -177.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 7.2 Cg_exo -73.49 140.41 29.97 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.769 2.313 . . . . 0.0 111.674 -178.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -131.53 151.59 51.45 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.751 -177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.2 t -127.31 135.94 51.25 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.699 -177.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.902 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 96.5 m-85 -95.02 122.19 37.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.721 175.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.79 113.17 41.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 120.795 0.331 . . . . 0.0 110.192 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 35' ' ' ASN . 42.7 mt-10 -91.49 124.71 35.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.721 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 50.2 m-85 -109.31 155.68 20.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.31 175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.494 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 97.1 m-70 -87.25 -7.02 58.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.49 176.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.73 120.68 19.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.075 -177.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.42 -35.3 79.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.377 177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -64.65 -42.5 95.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 -178.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -78.77 -25.37 44.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.979 0.419 . . . . 0.0 109.976 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.02 -38.96 92.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.618 171.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.25 -41.85 89.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.959 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.31 -41.06 98.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.314 177.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.83 94.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.519 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.612 HD22 HG12 ' A' ' 78' ' ' VAL . 1.7 tm? -53.97 -51.07 65.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.072 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.48 -45.64 52.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.214 -176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.36 -29.0 57.02 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -171.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.5 mmm -96.79 -32.99 11.84 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.679 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 65.4 t30 -72.77 111.33 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.007 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.35 -8.64 28.66 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.722 -176.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -84.43 124.06 30.92 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -83.19 121.15 26.7 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.819 0.342 . . . . 0.0 110.549 -176.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.616 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.9 mt -129.23 135.06 62.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.499 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.616 ' HG2' HG22 ' A' ' 71' ' ' ILE . 21.6 mmt 69.68 -72.37 0.11 Allowed 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.884 0.74 . . . . 0.0 111.858 178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 168.9 44.58 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 pttp -152.3 166.55 31.46 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -173.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -83.63 138.63 33.26 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 172.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.6 m -98.59 148.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.752 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 67.0 mttm -129.77 109.15 10.72 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.679 ' HB ' ' HB2' ' A' ' 67' ' ' ASN . 39.9 t -118.96 99.37 7.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -120.0 168.19 11.41 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.667 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.497 ' NE1' ' HG ' ' A' ' 63' ' ' LEU . 91.9 m95 -83.41 116.91 22.71 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 176.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -72.58 91.55 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.521 ' CG2' ' HA ' ' A' ' 3' ' ' ASP . 1.5 m -110.12 141.56 42.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.313 -175.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 18.8 p -109.95 104.95 56.61 Favored Pre-proline 0 C--N 1.316 -0.854 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.449 176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.586 ' HA ' ' OE1' ' A' ' 87' ' ' GLN . 24.4 Cg_exo -64.03 88.14 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.195 2.597 . . . . 0.0 112.194 -178.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.6 m -90.28 118.21 29.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.943 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.4 m 71.56 4.03 4.89 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.887 0.742 . . . . 0.0 111.162 -177.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.586 ' OE1' ' HA ' ' A' ' 84' ' ' PRO . 39.9 mt-30 -90.05 65.73 6.59 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.675 0.75 . . . . 0.0 110.054 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -95.32 28.79 2.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.046 -178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' HB3' ' HE2' ' A' ' 89' ' ' LYS . 46.2 mtpt 56.27 53.99 8.23 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.272 0.558 . . . . 0.0 109.58 -170.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -75.73 -36.87 59.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.298 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -175.44 49.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 122.319 1.056 . . . . 0.0 108.418 175.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 C--O 1.25 1.121 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.545 -173.723 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.58 0.229 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -65.28 -24.57 67.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.204 0.526 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.65 -5.51 25.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.084 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -104.97 -10.93 16.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.155 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 21.1 mmt -125.19 78.22 67.07 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.535 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.542 ' HG3' HG23 ' A' ' 82' ' ' THR . 31.9 Cg_exo -56.89 106.38 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 111.985 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -101.69 -3.04 28.92 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.435 0.636 . . . . 0.0 109.78 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.3 m -108.27 140.27 41.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.675 177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.605 HD12 HD23 ' A' ' 63' ' ' LEU . 3.6 mm? -104.16 131.14 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.793 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.938 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 73.5 t80 -97.66 99.83 11.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.553 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 78' ' ' VAL . 34.6 t -97.35 118.06 43.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 176.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 13' ' ' ASN . . . -116.89 -176.36 17.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.45 ' N ' HD22 ' A' ' 13' ' ' ASN . 0.9 OUTLIER 68.5 25.61 6.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.831 0.453 . . . . 0.0 110.849 -179.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.32 158.51 31.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.604 0.716 . . . . 0.0 111.69 -176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.7 t -126.4 149.93 48.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.522 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -7.49 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.309 0.576 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.04 -9.22 58.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.511 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.9 t -102.5 125.75 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.035 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 22' ' ' LEU . 7.5 t -90.88 149.01 22.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.751 0.31 . . . . 0.0 111.471 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -55.02 -44.9 75.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.079 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.5 68.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.438 -176.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 ' H ' HG23 ' A' ' 19' ' ' THR . 62.2 tp -67.93 -52.84 31.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.053 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' O ' ' HD1' ' A' ' 27' ' ' PHE . 40.5 mm -57.71 -50.94 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.023 -179.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.663 HD11 ' HB3' ' A' ' 36' ' ' CYS . 3.8 mm? -58.74 -45.41 89.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.397 -178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.61 -40.11 94.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.688 0.28 . . . . 0.0 111.116 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 37.4 mt -61.9 -46.35 89.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.538 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' HD1' ' O ' ' A' ' 23' ' ' ILE . 68.8 m-85 -76.68 -32.83 58.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.274 -178.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.7 t -61.12 -28.6 69.22 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.096 0.474 . . . . 0.0 110.625 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -42.17 99.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.658 176.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.17 -48.69 42.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.844 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -159.06 170.55 35.47 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.161 -179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -70.68 122.04 8.5 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.779 2.319 . . . . 0.0 112.091 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.9 p -77.62 136.61 38.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.464 0.649 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.31 -48.03 7.96 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.445 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -154.82 155.73 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.498 -177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.663 ' HB3' HD11 ' A' ' 24' ' ' LEU . 9.8 p -131.11 123.22 28.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 123.381 0.425 . . . . 0.0 110.409 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.777 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.3 mmmm -124.72 106.55 10.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.098 0.475 . . . . 0.0 110.723 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.54 ' HG3' ' HG2' ' A' ' 40' ' ' MET . 53.3 tpp -92.14 105.78 17.94 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.06 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.4 mm -101.88 85.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.513 . . . . 0.0 110.373 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.54 ' HG2' ' HG3' ' A' ' 38' ' ' MET . 92.7 mmm -88.26 119.7 28.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.911 177.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -98.27 129.43 44.98 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.193 0.521 . . . . 0.0 110.494 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.0 t -102.5 6.49 40.02 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.358 -176.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.07 -46.48 7.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.126 0.489 . . . . 0.0 110.598 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 146.82 6.96 0.3 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.596 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -79.35 148.08 32.19 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 27.8 t70 -59.72 115.13 11.47 Favored Pre-proline 0 C--O 1.234 0.281 0 O-C-N 123.474 0.484 . . . . 0.0 110.221 -179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 16.3 Cg_exo -68.31 141.81 52.95 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.047 2.498 . . . . 0.0 112.254 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -144.87 154.23 42.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.611 -176.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.528 ' SG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -129.81 134.96 47.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.416 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.777 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 66.8 m-85 -95.29 116.36 28.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.412 179.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 9' ' ' LEU . 4.0 p -118.59 111.89 35.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.308 0.575 . . . . 0.0 110.097 175.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -98.04 139.5 33.77 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.864 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 9' ' ' LEU . 28.3 m-85 -104.48 156.84 17.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.052 0.453 . . . . 0.0 110.529 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -80.45 -9.38 59.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.38 174.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.2 121.68 17.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.291 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -63.26 -29.47 70.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.113 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 57' ' ' ARG . 27.1 mtm105 -60.23 -43.4 96.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.54 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.47 -23.05 34.92 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.262 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.05 -39.32 89.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.883 172.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.51 -44.32 91.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.241 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.21 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.816 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.51 -36.9 79.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.911 0.386 . . . . 0.0 110.669 178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.605 HD23 HD12 ' A' ' 9' ' ' LEU . 3.1 tm? -54.06 -52.52 60.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.221 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.38 -20.35 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.63 -37.31 15.71 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 mmt -102.68 -15.62 16.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -73.02 111.03 7.75 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.655 0.264 . . . . 0.0 110.733 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.11 10.7 55.86 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.743 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 76' ' ' VAL . 61.0 ttt180 -82.88 144.66 29.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.22 0.533 . . . . 0.0 111.116 -173.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -77.05 98.98 5.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.716 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.597 HD12 HG11 ' A' ' 76' ' ' VAL . 70.2 mt -120.49 121.4 65.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.555 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt 66.0 -78.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.485 0.714 . . . . 0.0 111.846 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -171.78 27.31 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 13' ' ' ASN . 23.9 tptm -140.52 143.71 35.56 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -175.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -75.39 108.58 8.27 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.597 HG11 HD12 ' A' ' 71' ' ' ILE . 24.7 m -79.1 131.11 35.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.7 mttp -123.63 121.07 34.63 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.062 0.458 . . . . 0.0 110.975 -176.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 HG22 ' A' ' 11' ' ' VAL . 21.8 t -109.49 119.84 59.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.887 -177.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -124.17 164.34 19.7 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -73.07 113.74 10.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.528 0.204 . . . . 0.0 110.729 178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.938 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -97.34 115.66 28.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.018 0.437 . . . . 0.0 110.824 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.542 HG23 ' HG3' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -100.56 -170.07 1.81 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.064 176.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 21.3 m -64.59 113.1 9.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.906 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 16.7 Cg_exo -67.16 90.76 0.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.861 2.374 . . . . 0.0 111.287 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.9 m -92.34 90.69 7.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.672 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.4 m -83.47 56.16 3.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.649 -178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -130.91 41.3 3.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.165 0.507 . . . . 0.0 111.328 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -85.6 -15.82 41.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.742 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm 74.07 -48.99 0.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.48 0.712 . . . . 0.0 111.766 177.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -129.57 175.83 8.48 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 t -133.68 -1.78 3.06 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.718 -177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.777 -0.63 . . . . 0.0 109.572 179.43 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.0 mmm . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 120.354 0.121 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.28 -22.68 67.02 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.343 0.592 . . . . 0.0 110.673 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -78.4 -30.04 47.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.312 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -87.81 -21.68 24.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 110.98 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm -122.01 80.69 42.84 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.068 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.635 ' HB3' ' HA ' ' A' ' 82' ' ' THR . 57.2 Cg_endo -71.28 126.03 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.39 2.06 . . . . 0.0 112.618 -177.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -85.22 -15.28 44.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.185 0.517 . . . . 0.0 110.08 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.478 HG23 ' HG2' ' A' ' 52' ' ' GLU . 3.0 m -88.33 119.68 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.379 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.827 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -98.76 123.23 42.85 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.877 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 82.4 t80 -91.69 105.61 17.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.855 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 59.2 t -106.91 121.08 59.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -112.81 176.42 17.58 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.199 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 67.16 50.71 0.98 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 123.089 0.556 . . . . 0.0 111.011 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.3 mm? -84.5 148.23 26.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.168 0.508 . . . . 0.0 110.342 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.771 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.6 t -97.81 151.53 20.11 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.681 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.63 -9.11 57.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -174.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.36 4.87 31.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.287 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.771 HG23 ' HB3' ' A' ' 15' ' ' SER . 97.4 t -81.42 145.01 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 173.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 22' ' ' LEU . 8.9 t -125.88 153.71 43.77 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.274 -177.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 24' ' ' LEU . 35.5 tt0 -50.46 -47.21 56.99 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 122.631 0.372 . . . . 0.0 111.192 177.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.37 -31.51 63.87 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.919 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' H ' HG23 ' A' ' 19' ' ' THR . 10.4 tt -77.55 -46.38 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.962 -179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 HD11 HG11 ' A' ' 18' ' ' VAL . 47.0 mm -60.59 -45.48 97.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.406 178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.2 mm? -55.16 -43.95 74.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.948 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -68.68 -48.8 63.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.739 -176.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.8 mt -57.96 -47.08 84.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.759 0.314 . . . . 0.0 111.692 -176.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -79.53 -22.89 43.32 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.501 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 32.5 t -64.26 -31.24 72.36 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.018 0.437 . . . . 0.0 110.299 177.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -62.59 -30.02 71.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.587 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.5 mm -89.43 -46.86 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.774 -178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.72 165.29 37.42 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.259 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 41.7 Cg_endo -68.18 122.81 9.9 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.563 2.176 . . . . 0.0 111.906 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.4 m -87.46 137.2 32.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.123 0.487 . . . . 0.0 111.054 -177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 64.3 tttp -94.17 -57.73 2.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.02 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.461 ' ND2' ' HG2' ' A' ' 34' ' ' LYS . 60.7 m-80 -137.0 127.07 26.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.06 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' SG ' HG23 ' A' ' 51' ' ' VAL . 57.5 m -122.6 104.65 9.49 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 175.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -101.7 137.65 39.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.832 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.6 ttt -113.14 101.84 9.82 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.009 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 38.6 mm -82.19 84.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.8 ptm -81.71 84.59 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 122.075 0.94 . . . . 0.0 109.665 176.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.38 71.06 6.07 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.055 -174.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.3 t -83.8 -5.01 59.1 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.48 -171.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.98 14.97 22.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.155 0.503 . . . . 0.0 109.888 174.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.68 -101.06 0.59 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.758 -177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -127.24 -167.98 1.82 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.574 0.226 . . . . 0.0 111.31 -175.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 2.6 m-20 -58.72 123.1 66.14 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.654 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 27.8 Cg_exo -62.68 152.95 75.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.14 2.56 . . . . 0.0 113.067 -176.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.808 ' HA ' HD23 ' A' ' 14' ' ' LEU . 30.5 p90 -145.97 167.18 23.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.526 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.626 ' SG ' ' HB ' ' A' ' 11' ' ' VAL . 26.4 p -137.9 148.11 45.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.986 0.422 . . . . 0.0 111.63 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -107.6 110.9 22.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.544 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 9' ' ' LEU . 3.6 p -113.12 111.87 37.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.351 0.596 . . . . 0.0 110.435 178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' HG23 ' A' ' 8' ' ' THR . 35.9 mt-10 -103.03 130.59 50.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.525 -179.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -93.56 157.22 16.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.006 0.431 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.505 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 89.3 m-70 -79.47 -21.78 44.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.64 106.78 10.37 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.208 -171.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -65.05 -32.25 73.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.518 -175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -66.51 -29.52 69.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.008 0.432 . . . . 0.0 110.325 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -86.18 -23.98 26.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.524 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.827 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -61.69 -33.51 74.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.235 0.54 . . . . 0.0 110.346 176.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.9 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.498 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.31 -40.12 81.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.784 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.86 93.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.443 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 67' ' ' ASN . 3.1 tm? -54.7 -40.51 69.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.29 177.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.66 -59.36 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.347 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.0 -23.99 62.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -168.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 96.1 mmm -100.43 -4.19 29.45 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.457 -177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 26.4 t-20 -71.64 112.08 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.677 0.275 . . . . 0.0 110.856 -177.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.32 11.35 64.66 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.1 175.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 76' ' ' VAL . 24.9 ttt180 -80.26 140.17 36.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.028 0.442 . . . . 0.0 110.753 -174.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -81.17 114.06 19.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.545 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.718 HD12 HG11 ' A' ' 76' ' ' VAL . 65.4 mt -120.76 119.65 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.141 176.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.3 mmt 66.51 -82.47 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.321 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.92 12.33 1.1 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.516 -0.849 . . . . 0.0 112.887 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -136.5 142.78 43.53 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.914 0.387 . . . . 0.0 110.184 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -81.96 109.57 16.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 71' ' ' ILE . 15.4 m -71.28 148.44 10.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.266 0.555 . . . . 0.0 110.797 -176.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.641 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 59.2 mtpt -124.15 133.84 53.47 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.993 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.548 HG22 HG22 ' A' ' 11' ' ' VAL . 41.9 t -123.49 110.21 25.41 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.52 -173.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -123.23 146.54 47.74 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -73.22 107.7 5.69 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.309 0.576 . . . . 0.0 110.251 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.877 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -87.19 103.05 15.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.155 -177.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.635 ' HA ' ' HB3' ' A' ' 6' ' ' PRO . 1.9 p -70.15 113.29 7.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 7.0 m -109.33 104.29 54.78 Favored Pre-proline 0 C--N 1.318 -0.795 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.241 177.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 2.7 Cg_exo -76.01 163.31 33.31 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.326 2.684 . . . . 0.0 112.266 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.8 t -92.97 84.57 4.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.253 0.549 . . . . 0.0 109.807 178.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 38.2 t -84.65 81.12 9.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.558 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.81 ' HG3' ' H ' ' A' ' 88' ' ' LYS . 8.4 pt20 -108.24 -81.81 0.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.515 -177.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.81 ' H ' ' HG3' ' A' ' 87' ' ' GLN . 23.6 ttmm -105.62 -52.93 2.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.694 0.283 . . . . 0.0 110.844 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -95.0 71.39 3.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.097 0.475 . . . . 0.0 111.441 179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -84.51 -47.84 10.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.352 173.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.6 m -124.7 124.24 41.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.643 177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.723 -178.699 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.518 -0.179 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.4 mp0 -62.53 -27.72 69.35 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 177.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -69.47 -17.18 63.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.485 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -85.46 -23.08 27.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 110.963 177.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.3 mtm -129.14 71.94 81.99 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.397 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.1 132.07 25.26 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.463 2.109 . . . . 0.0 112.387 -175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HG2' ' HB2' ' A' ' 56' ' ' HIS . 98.1 mttt -94.08 9.26 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.42 . . . . 0.0 110.339 176.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.417 HG23 ' HG2' ' A' ' 52' ' ' GLU . 28.9 m -110.61 118.99 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 -179.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.584 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.9 mm? -92.95 133.37 36.18 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.074 0.464 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 64.4 t80 -102.78 96.95 7.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 57.3 t -100.13 118.19 46.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.432 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.42 171.88 15.07 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.471 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.948 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 5.5 t30 68.2 49.72 0.82 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.68 0.752 . . . . 0.0 110.637 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD22 HG11 ' A' ' 18' ' ' VAL . 87.3 mt -85.52 130.9 34.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.84 173.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.468 ' HB3' HG23 ' A' ' 18' ' ' VAL . 32.2 t -92.06 166.66 12.55 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.876 178.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.7 OUTLIER -75.08 -9.84 58.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.43 -17.17 40.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.764 176.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.468 HG23 ' HB3' ' A' ' 15' ' ' SER . 77.8 t -86.65 107.99 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.687 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.2 t -87.42 149.4 24.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.9 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.44 -31.86 73.14 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.044 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -65.24 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.896 -178.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 2.6 tm? -85.38 -51.24 6.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.417 176.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.4 mm -59.19 -57.04 13.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.285 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 36' ' ' CYS . 37.4 mt -60.79 -31.29 70.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.613 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 8.3 tt0 -68.39 -46.95 68.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.983 0.42 . . . . 0.0 110.508 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 46.3 mt -61.07 -40.59 94.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.119 -178.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 59.0 m-85 -73.7 -34.87 65.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.474 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.3 m -65.45 -25.23 67.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.078 0.466 . . . . 0.0 110.602 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -71.33 -23.52 61.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.441 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.472 HG21 ' HB2' ' A' ' 62' ' ' ALA . 45.8 mm -93.57 -53.22 8.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.304 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.1 177.51 23.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.334 -0.936 . . . . 0.0 113.031 -176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HG2' ' HB2' ' A' ' 54' ' ' HIS . 59.6 Cg_endo -76.09 110.15 3.02 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.944 2.429 . . . . 0.0 112.246 177.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.37 129.52 37.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.654 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -89.32 -53.04 4.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.26 0.552 . . . . 0.0 110.159 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -162.27 144.96 11.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.422 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' HB2' HD21 ' A' ' 24' ' ' LEU . 43.7 t -109.16 127.01 53.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.32 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.656 ' HB3' ' HB2' ' A' ' 50' ' ' PHE . 34.0 tptt -110.94 130.36 55.61 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 173.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.2 ptp -122.53 107.43 11.99 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-O 121.121 0.486 . . . . 0.0 110.376 -175.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.4 mm -102.76 109.53 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.715 -174.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.41 110.21 17.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.41 0.624 . . . . 0.0 110.244 177.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -90.52 113.26 25.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.944 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 t -102.38 6.93 40.52 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.708 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.53 -72.72 0.56 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.089 -174.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.14 12.82 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.321 -0.942 . . . . 0.0 112.785 -176.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -110.08 156.93 19.89 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.948 ' HB2' ' HA ' ' A' ' 13' ' ' ASN . 0.8 OUTLIER -73.23 128.84 86.94 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 172.597 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.5 130.85 34.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.005 2.47 . . . . 0.0 111.894 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -124.05 150.58 44.79 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.381 0.61 . . . . 0.0 111.185 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -124.03 136.29 54.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.329 -0.85 . . . . 0.0 110.817 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.656 ' HB2' ' HB3' ' A' ' 37' ' ' LYS . 88.0 m-85 -96.0 107.9 20.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.835 174.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -101.45 105.1 17.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.045 0.45 . . . . 0.0 109.872 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HG2' HG23 ' A' ' 8' ' ' THR . 35.8 mt-10 -93.01 129.39 38.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.911 -176.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 53.5 m-85 -107.85 164.98 11.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.215 0.531 . . . . 0.0 110.839 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 32' ' ' PRO . 85.4 m-70 -92.42 -7.81 46.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.109 172.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.6 tm-20 -140.54 114.53 9.04 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.104 -166.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.479 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 83.4 t60 -79.0 -30.18 44.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.672 -175.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.529 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 32.0 ttt180 -62.35 -36.57 82.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.209 0.528 . . . . 0.0 110.32 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -82.1 -33.19 29.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.189 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.37 -33.57 71.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.68 178.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.41 -48.13 79.92 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.812 175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -39.61 84.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.597 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' A' ' 30' ' ' ILE . . . -58.22 -42.47 86.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.081 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.779 HD12 HG12 ' A' ' 78' ' ' VAL . 7.3 tp -57.74 -55.07 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.92 79.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.958 -173.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.03 -33.65 63.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.721 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.62 ' HB3' HG21 ' A' ' 78' ' ' VAL . 36.7 tpp -86.42 -40.96 14.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.543 -175.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.668 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 59.3 t30 -70.38 134.81 48.23 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.024 -0.27 . . . . 0.0 110.512 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 11.0 85.61 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.484 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -100.05 127.13 46.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.951 0.405 . . . . 0.0 110.344 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -64.02 112.57 3.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.979 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.5 mt -135.44 125.53 43.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.931 -176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.464 ' CE ' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER 58.99 26.27 14.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.071 0.463 . . . . 0.0 110.914 -178.176 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.25 70.14 Favored Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.442 -178.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.772 ' HE2' ' HA ' ' A' ' 74' ' ' LYS . 9.5 mmpt? -116.19 160.46 20.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.274 0.559 . . . . 0.0 111.309 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -91.94 110.17 21.53 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.541 176.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.1 m -93.0 146.9 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.666 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.57 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 63.3 mttp -129.29 120.96 26.57 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.819 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.779 HG12 HD12 ' A' ' 63' ' ' LEU . 18.5 t -115.2 116.68 53.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.027 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -116.41 147.41 41.69 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.623 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -86.7 102.53 14.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.362 0.601 . . . . 0.0 109.693 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.55 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -71.0 94.49 1.09 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.952 -171.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.445 ' HB ' ' H ' ' A' ' 83' ' ' THR . 12.9 p -83.58 -155.88 0.19 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.836 174.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -70.04 124.68 91.17 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.943 176.057 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 83' ' ' THR . 2.9 Cg_exo -75.56 74.59 4.23 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.046 2.497 . . . . 0.0 111.994 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.3 t -73.72 148.38 42.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.319 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.2 p 50.48 37.51 16.0 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.793 0.806 . . . . 0.0 111.179 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -142.93 64.7 1.35 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.08 -0.964 . . . . 0.0 108.506 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -75.62 79.12 2.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.114 -173.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -82.67 68.43 9.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.455 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.49 -30.97 23.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.008 177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.4 t -115.23 144.75 43.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.6 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.349 -179.176 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.474 0.178 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -64.07 -18.61 64.54 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.516 0.674 . . . . 0.0 109.465 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.52 -47.24 73.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.66 177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -89.87 -2.5 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.433 -172.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.9 mtm -131.67 73.73 78.77 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.464 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.76 98.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 122.786 2.324 . . . . 0.0 112.053 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HE3' ' HB2' ' A' ' 7' ' ' LYS . 31.1 ttmt -91.45 -4.48 55.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.501 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.9 m -108.82 131.37 55.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.967 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.843 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.1 mm? -100.25 129.98 46.31 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.11 0.481 . . . . 0.0 110.547 179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 24.3 t80 -94.65 106.93 18.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.344 178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.627 HG22 HG22 ' A' ' 78' ' ' VAL . 45.0 t -111.23 122.53 65.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.23 -175.89 20.8 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.653 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 64.67 48.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.476 0.71 . . . . 0.0 111.248 -175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.5 mm? -91.57 171.64 9.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.697 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.776 ' HB3' HG23 ' A' ' 18' ' ' VAL . 22.8 t -139.24 147.54 41.88 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.45 ' HD2' ' H ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -65.07 -13.44 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.056 -178.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.88 8.07 44.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.863 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.776 HG23 ' HB3' ' A' ' 15' ' ' SER . 93.3 t -95.94 116.07 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 22' ' ' LEU . 10.1 t -75.13 144.12 42.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.586 0.708 . . . . 0.0 111.102 -178.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.85 -31.1 72.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.625 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -30.56 71.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.175 -178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.447 ' H ' HG23 ' A' ' 19' ' ' THR . 57.7 tp -72.87 -56.47 5.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.397 -178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.79 -46.57 87.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.317 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.93 -32.14 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.413 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -61.41 -46.0 91.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.886 0.374 . . . . 0.0 110.632 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.79 -49.67 72.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.874 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.606 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 92.9 m-85 -74.68 -31.92 62.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.467 -177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.5 t -65.1 -29.11 69.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.186 0.517 . . . . 0.0 110.271 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -70.83 -18.55 62.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.412 179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 62' ' ' ALA . 45.2 mm -99.38 -52.96 8.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.842 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.63 169.36 24.63 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.717 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.85 116.25 4.36 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.041 2.494 . . . . 0.0 112.148 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 6.2 p -73.02 137.75 45.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.25 0.548 . . . . 0.0 111.048 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 57.6 tttt -106.14 -55.27 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.811 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -156.45 158.85 38.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.871 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 p -138.24 117.14 12.39 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.966 0.412 . . . . 0.0 110.841 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.825 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 30.4 mmmt -101.12 106.98 18.29 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 175.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 ptm -92.18 99.09 11.95 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.488 0.661 . . . . 0.0 110.856 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.0 mm -92.94 85.34 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.234 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.2 mmt -86.27 141.32 29.36 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.521 176.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.638 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 4.9 p-10 -62.4 131.95 50.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.223 0.535 . . . . 0.0 110.121 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -86.07 -24.69 26.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.941 -174.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -175.45 25.88 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.385 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.638 ' O ' ' HB2' ' A' ' 41' ' ' ASP . . . 147.1 -177.91 25.07 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -172.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' GLY . 39.1 m-80 76.25 169.67 0.26 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.241 0.616 . . . . 0.0 110.273 -173.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 9.2 p-10 -90.63 134.65 30.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.872 177.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 5.2 Cg_exo -80.48 140.24 13.34 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 123.005 2.47 . . . . 0.0 112.47 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' HA ' HD23 ' A' ' 14' ' ' LEU . 22.1 p90 -153.65 166.53 32.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.319 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.9 t -134.44 140.93 46.6 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.825 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 76.1 m-85 -100.66 105.44 16.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.924 175.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.61 HG23 ' HB2' ' A' ' 9' ' ' LEU . 14.4 m -101.36 121.54 52.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.193 0.521 . . . . 0.0 110.57 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' HB3' ' HD3' ' A' ' 34' ' ' LYS . 41.3 mt-10 -100.74 137.9 38.51 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.89 -178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 38.0 m-85 -106.3 175.6 5.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.696 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -99.64 -12.36 20.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.477 0.656 . . . . 0.0 109.246 170.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.502 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 1.4 tm-20 -135.88 120.36 18.12 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.156 -169.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -76.7 -33.78 58.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.658 -173.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.502 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 78.3 ttt180 -65.43 -36.53 84.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.236 0.541 . . . . 0.0 110.263 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -73.81 -34.2 64.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.809 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.843 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -62.75 -33.11 74.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.607 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.01 -50.5 68.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.855 177.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.9 92.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.503 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -59.42 -46.01 89.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.49 177.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.507 HD12 HG12 ' A' ' 78' ' ' VAL . 4.1 tt -63.1 -43.98 96.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.794 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.27 72.27 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.82 -35.11 14.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 87.1 mmm -87.82 -23.5 24.01 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -69.58 110.72 4.96 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.16 -179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.84 10.26 56.61 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.167 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.1 tpt180 -78.22 166.32 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -119.6 107.17 12.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.865 0.364 . . . . 0.0 110.429 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.436 HD13 HG11 ' A' ' 76' ' ' VAL . 3.4 mp -117.79 124.18 72.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.455 ' HG3' HG22 ' A' ' 18' ' ' VAL . 9.7 mmt 63.63 18.38 11.06 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.357 0.411 . . . . 0.0 111.335 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.89 -4.42 85.67 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.307 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 74' ' ' LYS . 13.4 mptt -90.3 138.16 31.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -81.48 106.96 13.85 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 69' ' ' ARG . 16.8 m -86.13 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.189 0.519 . . . . 0.0 110.333 -175.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 62.8 mttp -127.08 122.12 33.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.954 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.627 HG22 HG22 ' A' ' 11' ' ' VAL . 28.5 t -113.84 123.42 69.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.143 -176.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -136.84 154.37 50.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.821 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.479 ' CD1' HD13 ' A' ' 63' ' ' LEU . 21.6 m0 -69.67 119.4 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.361 178.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.577 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -91.58 105.22 17.58 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 m -86.46 139.07 31.25 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.803 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t -126.35 104.27 25.24 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-O 121.305 0.574 . . . . 0.0 110.694 175.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.4 120.75 7.55 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.921 2.414 . . . . 0.0 111.547 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.0 t -78.34 71.3 4.8 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.278 0.561 . . . . 0.0 110.706 -178.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.3 m -83.35 118.77 23.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.707 176.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -131.13 97.94 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.479 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -78.95 65.94 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.622 . . . . 0.0 109.946 174.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -68.97 -23.97 64.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.073 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -106.5 -171.85 1.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.209 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.4 m -86.22 -41.48 14.61 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -169.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.7 m . . . . . 0 C--O 1.249 1.076 0 CA-C-O 119.12 -0.467 . . . . 0.0 111.72 -174.238 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ptm . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 111.323 0.12 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 5' ' ' MET . 47.7 mt-10 -70.63 -24.79 62.79 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 178.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -38.71 80.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.118 -0.947 . . . . 0.0 109.475 170.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' C ' ' HD3' ' A' ' 6' ' ' PRO . 76.3 mm-40 -79.68 27.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.46 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.461 ' HE2' ' HA ' ' A' ' 2' ' ' GLU . 52.3 mtm -124.34 72.06 57.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' A' ' 80' ' ' TRP . 15.4 Cg_exo -69.46 120.98 7.74 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.965 2.443 . . . . 0.0 112.824 -178.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -86.38 -15.05 41.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 171.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.7 m -94.48 125.65 39.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.036 -0.984 . . . . 0.0 111.079 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.811 HD21 ' HB1' ' A' ' 59' ' ' ALA . 4.0 mm? -94.1 139.11 31.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.058 175.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HD2' ' CE2' ' A' ' 50' ' ' PHE . 79.3 t80 -105.15 96.36 6.47 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.083 -176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 78' ' ' VAL . 39.0 t -99.45 112.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.252 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.14 21.22 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.569 -0.824 . . . . 0.0 111.962 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 69.62 32.66 3.26 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 124.146 0.557 . . . . 0.0 111.36 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' ' HD2' ' A' ' 47' ' ' PRO . 57.0 mt -72.38 154.21 41.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.914 0.388 . . . . 0.0 109.962 176.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.621 ' OG ' ' HD3' ' A' ' 74' ' ' LYS . 3.5 m -122.27 172.92 7.95 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -69.59 -23.36 63.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.689 0.757 . . . . 0.0 108.963 176.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' HB3' ' HE2' ' A' ' 72' ' ' MET . 6.1 m-20 -74.31 -18.15 60.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.037 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.471 HG11 HD22 ' A' ' 14' ' ' LEU . 57.3 t -85.68 130.37 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.952 0.406 . . . . 0.0 110.922 -175.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.432 HG23 ' H ' ' A' ' 22' ' ' LEU . 5.2 t -106.95 144.91 32.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.653 178.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.36 -37.77 78.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.935 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.01 85.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.405 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' O ' HD23 ' A' ' 26' ' ' LEU . 48.4 tp -71.16 -52.05 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.547 -178.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -54.84 -51.7 49.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.68 -29.99 70.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.434 -178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -65.67 -43.0 90.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.023 0.439 . . . . 0.0 110.281 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 22' ' ' LEU . 4.0 mm? -58.37 -46.83 85.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.978 177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' HD2' ' HB1' ' A' ' 62' ' ' ALA . 61.2 m-85 -73.29 -35.1 66.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.8 t -63.63 -24.57 67.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.806 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -69.37 -24.05 63.83 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.562 176.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -97.5 -49.64 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.51 158.21 28.3 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.617 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.7 124.69 8.96 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.979 2.452 . . . . 0.0 112.637 -179.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -97.97 146.02 25.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.857 177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.696 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 41.2 pttt -102.03 -31.11 10.81 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.852 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -151.53 148.69 28.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.588 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.7 p -132.03 112.69 12.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.25 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.886 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 13.2 mmmm -89.91 106.65 18.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.204 0.526 . . . . 0.0 110.139 179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 95.0 mmm -91.44 98.7 11.84 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.887 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.491 HG21 ' CZ ' ' A' ' 48' ' ' TYR . 45.3 mm -83.66 105.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.282 -178.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.8 mtm -93.2 128.51 39.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.464 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -81.07 144.28 31.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.754 177.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.4 t -101.13 -4.03 28.06 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -173.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.07 -75.72 0.57 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.925 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -169.76 64.47 0.17 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -118.94 170.2 9.23 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -176.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -87.34 113.61 54.77 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 171.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.606 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 20.5 Cg_exo -66.61 152.0 81.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.304 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' CZ ' HG21 ' A' ' 39' ' ' ILE . 19.0 p90 -135.34 147.15 49.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.071 179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' HB2' HD11 ' A' ' 14' ' ' LEU . 53.2 t -120.2 136.37 54.66 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.853 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.886 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 79.5 m-85 -103.66 115.54 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.15 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 9' ' ' LEU . 15.0 m -115.03 123.17 70.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.887 0.375 . . . . 0.0 111.005 177.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -98.2 120.43 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 22.7 m-85 -87.79 158.14 18.84 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.748 176.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.696 ' CE1' ' HB3' ' A' ' 34' ' ' LYS . 80.0 m-70 -86.24 -8.6 57.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.286 173.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -139.03 114.81 10.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.45 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -66.31 -30.13 70.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.71 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -63.96 -34.76 78.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -85.27 -28.61 25.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.784 0.326 . . . . 0.0 110.293 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.811 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -60.25 -40.1 89.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.272 174.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.84 94.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.589 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.04 88.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.726 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 27' ' ' PHE . . . -63.92 -37.6 88.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.595 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD11 ' HD1' ' A' ' 80' ' ' TRP . 9.9 tt -59.51 -51.19 70.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.244 179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.06 -39.13 86.83 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.333 -0.394 . . . . 0.0 112.02 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.32 -33.34 49.32 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -175.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE1' ' HG ' ' A' ' 26' ' ' LEU . 13.6 tpt -91.54 -25.56 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.658 0.266 . . . . 0.0 111.353 -174.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -61.65 110.84 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.54 10.13 51.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.119 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 11.5 tpt180 -71.64 152.64 42.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.7 ' HD3' ' H ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -102.59 127.17 49.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.556 HG22 ' HG2' ' A' ' 72' ' ' MET . 44.4 mt -138.41 117.76 14.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.316 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.556 ' HG2' HG22 ' A' ' 71' ' ' ILE . 93.0 mmm 69.04 -5.03 1.11 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.746 175.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 128.56 -9.39 6.49 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.9 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.621 ' HD3' ' OG ' ' A' ' 15' ' ' SER . 28.5 mtpp -117.28 166.66 12.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.105 0.479 . . . . 0.0 111.186 178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -96.03 120.43 36.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.396 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.522 HG11 HD12 ' A' ' 71' ' ' ILE . 17.4 m -81.07 139.45 18.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.0 mttm -123.88 118.38 26.96 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.256 0.551 . . . . 0.0 110.785 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 11' ' ' VAL . 43.8 t -109.31 107.22 22.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.536 -176.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -110.39 -176.99 3.12 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.506 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . 10.0 p-90 -111.16 133.82 53.22 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.832 0.349 . . . . 0.0 110.225 177.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 6' ' ' PRO . . . -97.47 102.41 14.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.987 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.94 139.04 58.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.312 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.1 p -111.26 104.57 56.31 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.657 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.79 13.27 2.74 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.108 2.538 . . . . 0.0 112.882 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.9 m -82.3 56.41 3.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.136 0.493 . . . . 0.0 110.123 178.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.7 m -85.54 126.56 33.96 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.481 -174.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 58.69 45.77 15.38 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.263 -0.88 . . . . 0.0 111.553 175.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.39 -5.38 52.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.071 0.462 . . . . 0.0 110.627 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -128.05 82.87 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.904 174.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -82.44 125.09 30.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.262 0.553 . . . . 0.0 110.093 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.4 t -132.5 21.56 4.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.666 0.746 . . . . 0.0 109.871 -175.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.222 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HB3' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.408 ' H ' ' HB3' ' A' ' 1' ' ' MET . 12.6 pt-20 -83.11 -22.34 33.41 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.624 0.726 . . . . 0.0 110.176 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.56 -14.05 62.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.985 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -89.03 14.57 10.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.58 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.439 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 66.4 mtt -115.68 97.14 48.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.117 174.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 5' ' ' MET . 14.3 Cg_endo -56.35 109.8 0.49 Allowed 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.214 2.609 . . . . 0.0 113.144 -173.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -97.46 -10.17 25.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.391 177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.4 m -112.24 132.71 54.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.876 -177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.569 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.8 mm? -95.8 127.69 42.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.238 176.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 34.3 t80 -90.8 97.19 11.03 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 176.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.745 HG21 ' HZ ' ' A' ' 27' ' ' PHE . 43.7 t -114.63 112.83 41.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.006 0.431 . . . . 0.0 111.56 -175.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 48' ' ' TYR . . . -108.31 127.66 8.75 Favored Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.701 ' HB3' ' HA ' ' A' ' 76' ' ' VAL . 8.0 p30 177.87 -7.11 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.638 0.257 . . . . 0.0 110.61 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 47' ' ' PRO . 89.6 mt -55.93 140.37 43.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.389 0.614 . . . . 0.0 111.619 -170.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.8 m -147.3 178.89 8.05 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.357 179.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -55.38 -46.63 76.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.69 14.04 9.29 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -177.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.7 t -100.87 130.75 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.0 t -118.62 153.77 33.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.83 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -53.67 -48.31 69.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.885 0.374 . . . . 0.0 110.729 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -36.91 71.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.584 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 26' ' ' LEU . 60.9 tp -66.51 -53.99 28.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.057 0.456 . . . . 0.0 110.109 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.68 -49.08 83.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.291 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' ' 36' ' ' CYS . 10.4 mp -64.68 -33.42 75.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.333 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -64.55 -40.46 95.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 0.0 110.032 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 4.0 mm? -63.57 -29.68 70.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.245 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.745 ' HZ ' HG21 ' A' ' 11' ' ' VAL . 55.6 m-85 -87.25 -28.22 22.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.478 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.9 m -71.42 -20.19 62.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.007 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 26' ' ' LEU . 3.4 pt20 -75.61 -11.97 60.12 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 35.7 mm -104.03 -50.7 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.26 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -154.42 161.47 30.14 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -66.07 116.5 4.03 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.861 2.374 . . . . 0.0 112.209 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.7 p -77.47 136.66 38.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.902 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -100.31 -47.48 4.92 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.182 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -151.59 153.56 34.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.212 -176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' HB3' HD21 ' A' ' 24' ' ' LEU . 12.0 p -128.67 125.69 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.113 0.482 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.94 ' HB2' ' HB2' ' A' ' 50' ' ' PHE . 27.2 mmmt -111.06 106.19 15.18 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 176.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 ttt -88.7 114.1 24.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.908 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.0 mm -106.0 101.35 12.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.234 0.54 . . . . 0.0 110.079 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.8 ptm -110.56 113.89 26.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.825 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -79.98 140.93 36.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.38 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -94.37 5.58 51.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.232 0.539 . . . . 0.0 110.024 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -95.17 -7.04 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.82 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.78 -117.38 5.15 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.14 -168.05 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.039 0.935 . . . . 0.0 112.754 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 31.8 t70 -90.83 113.94 59.7 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.092 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.627 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 5.6 Cg_exo -79.49 146.34 19.24 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 123.108 2.539 . . . . 0.0 112.075 177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 15.9 p90 -129.26 162.68 27.34 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.031 -176.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.44 ' HB2' HD11 ' A' ' 14' ' ' LEU . 42.6 t -134.07 139.31 45.89 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.366 -178.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.94 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 89.9 m-85 -95.53 133.48 39.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.404 174.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 m -130.48 121.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.999 0.428 . . . . 0.0 111.036 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -89.07 130.49 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.602 177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 14.6 m-85 -102.04 145.52 29.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.921 0.391 . . . . 0.0 110.611 176.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -73.24 -21.49 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.117 174.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -125.4 109.83 13.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.669 -178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -58.64 -32.57 69.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.372 178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 57' ' ' ARG . 40.1 mtp180 -67.57 -36.27 80.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.279 -179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -79.36 -21.23 46.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.327 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.569 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -64.94 -32.63 74.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.472 176.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.737 ' HA ' ' HH2' ' A' ' 80' ' ' TRP . . . -64.81 -46.34 82.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.122 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.92 88.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.816 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.763 HD12 HG12 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -61.12 -57.29 13.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.725 178.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.31 -40.52 97.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.907 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.12 -33.19 61.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.602 ' HB3' HG21 ' A' ' 78' ' ' VAL . 42.7 tpp -92.05 -39.48 11.61 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.716 -174.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.717 ' HB2' ' HB ' ' A' ' 78' ' ' VAL . 12.0 t30 -63.98 125.38 24.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.793 0.33 . . . . 0.0 111.099 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.71 0.17 66.97 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.48 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.587 ' O ' HG22 ' A' ' 76' ' ' VAL . 72.9 ttt180 -79.57 156.61 27.64 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -105.03 119.24 38.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 0.0 110.113 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.49 HD12 HG11 ' A' ' 76' ' ' VAL . 71.7 mt -137.49 126.77 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.017 -178.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 62.75 23.71 14.13 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.513 0.508 . . . . 0.0 110.564 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.57 2.94 57.15 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.6 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -105.48 167.02 10.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.97 0.415 . . . . 0.0 110.737 -176.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -93.36 111.74 23.47 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.513 -177.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.701 ' HA ' ' HB3' ' A' ' 13' ' ' ASN . 11.8 m -84.78 134.51 26.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 33.4 mtmm -126.51 134.01 51.01 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 -177.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.763 HG12 HD12 ' A' ' 63' ' ' LEU . 26.2 t -128.75 109.44 19.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.246 0.546 . . . . 0.0 109.98 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -120.85 157.57 29.5 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.422 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.737 ' HH2' ' HA ' ' A' ' 60' ' ' ALA . 93.7 m95 -77.59 112.97 14.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.65 0.262 . . . . 0.0 110.515 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.508 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -83.53 91.98 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.269 0.557 . . . . 0.0 109.652 176.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.2 p -102.99 142.53 33.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.059 -175.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.7 m -118.49 103.67 48.67 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 170.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.78 158.3 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.411 2.074 . . . . 0.0 112.973 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.2 m -63.91 114.75 4.29 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.336 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.0 m -51.69 -41.43 61.42 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.232 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.1 -73.38 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.93 172.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -122.66 -69.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -138.42 151.81 47.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.548 174.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -96.13 -9.43 30.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.82 0.343 . . . . 0.0 111.07 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.33 132.38 34.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.932 179.03 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.98 0.419 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.16 -33.36 59.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.335 -177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.918 ' HB3' ' HA ' ' A' ' 84' ' ' PRO . 6.2 p-10 -76.28 -3.38 36.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.365 -177.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.29 -20.13 28.85 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.228 0.537 . . . . 0.0 109.837 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 61.9 mtt -131.29 80.83 67.21 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.958 -177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' HG2' ' CE3' ' A' ' 80' ' ' TRP . 45.9 Cg_endo -70.52 140.44 39.82 Favored 'Trans proline' 0 CA--C 1.528 0.207 0 C-N-CA 122.509 2.14 . . . . 0.0 112.538 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -116.46 9.37 14.3 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.377 0.608 . . . . 0.0 109.857 177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 81' ' ' ALA . 12.1 m -112.32 128.82 56.39 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.365 -178.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -96.29 123.28 39.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.965 0.412 . . . . 0.0 109.946 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.744 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 53.2 t80 -96.67 98.54 10.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.614 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 78' ' ' VAL . 59.2 t -98.77 112.51 31.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.05 167.07 12.59 Favored Glycine 0 N--CA 1.442 -0.934 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.272 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.591 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 23.1 m120 74.35 54.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 123.398 0.679 . . . . 0.0 111.776 176.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 49' ' ' CYS . 85.1 mt -82.76 -176.78 6.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.548 177.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.782 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 46.3 t -148.37 162.98 38.45 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.562 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -16.53 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.178 0.513 . . . . 0.0 109.857 177.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -78.18 -21.98 49.32 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.192 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.2 t -82.97 139.42 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.371 -177.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.9 t -126.7 149.07 49.77 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.886 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -55.75 -43.44 76.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.158 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -25.81 65.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.837 -176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.6 tp -84.19 -51.69 6.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.879 0.371 . . . . 0.0 110.592 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.7 mm -58.57 -48.87 84.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.111 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 36' ' ' CYS . 4.6 mm? -65.85 -29.09 69.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.471 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -64.08 -46.6 83.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.91 0.386 . . . . 0.0 110.266 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.15 -45.67 92.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.686 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -67.83 -36.63 80.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.264 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 72.3 m -63.99 -26.7 68.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.228 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -73.43 -20.14 60.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.373 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.531 HG22 ' HB3' ' A' ' 58' ' ' HIS . 35.8 mm -101.04 -51.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.377 -177.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -153.6 158.34 27.97 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.447 -177.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 55' ' ' GLU . 35.4 Cg_exo -61.16 119.53 6.73 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 123.156 2.57 . . . . 0.0 111.956 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 59.3 m -80.34 135.38 36.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.702 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -86.09 -46.49 10.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.445 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -165.29 167.19 18.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.447 178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.707 ' HB3' HD11 ' A' ' 24' ' ' LEU . 15.6 p -137.63 124.45 21.22 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.157 178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -125.95 105.66 9.07 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.034 0.445 . . . . 0.0 110.805 178.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 61.7 mtm -90.93 109.5 20.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.866 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.3 mm -83.93 102.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 61.6 mtt -81.64 84.76 6.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.279 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -63.31 142.11 58.51 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.952 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -100.82 -31.72 11.03 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.118 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.98 54.53 0.0 OUTLIER 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.044 0.449 . . . . 0.0 110.624 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.94 -52.07 0.62 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 175.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -160.21 -85.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.995 0.426 . . . . 0.0 111.03 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.591 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 5.2 t70 -150.86 124.41 4.33 Favored Pre-proline 0 C--N 1.31 -1.12 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 4.1 Cg_endo -46.63 142.96 9.36 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.042 3.162 . . . . 0.0 113.833 -174.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -140.99 165.46 27.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.631 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.543 ' HB2' HD11 ' A' ' 14' ' ' LEU . 43.3 t -136.39 142.46 43.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.198 0.523 . . . . 0.0 111.28 -176.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -100.86 119.22 38.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.999 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 49.0 t -123.79 114.91 43.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.761 0.315 . . . . 0.0 110.263 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 8' ' ' THR . 43.4 mt-10 -99.36 146.02 26.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.87 0.367 . . . . 0.0 111.069 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB3' ' H ' ' A' ' 55' ' ' GLU . 3.8 m-85 -113.65 152.59 30.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.08 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -85.69 -7.59 58.71 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 168.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 49.4 mm-40 -118.16 97.32 5.74 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.457 -1.247 . . . . 0.0 110.981 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -65.87 -30.12 70.67 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtm180 -67.14 -46.36 74.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.784 178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' HB3' HG22 ' A' ' 30' ' ' ILE . 23.4 m80 -79.41 -16.89 55.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.491 -176.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.18 74.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.45 177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.66 -45.8 85.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.02 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.19 -38.12 89.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.918 -178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.32 89.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.473 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HA ' HG11 ' A' ' 78' ' ' VAL . 10.3 tt -61.87 -53.05 61.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.562 -179.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.6 -14.69 44.93 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 27.8 ttt -116.59 -29.1 6.22 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.713 -0.395 . . . . 0.0 112.037 -175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -60.67 114.96 3.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.794 0.33 . . . . 0.0 111.646 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.02 10.04 63.08 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.87 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.646 ' O ' HG22 ' A' ' 76' ' ' VAL . 74.4 ttt180 -93.15 132.26 37.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -79.41 121.12 24.77 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.246 -0.581 . . . . 0.0 110.253 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -128.63 115.98 39.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.441 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.5 mmt 59.99 43.95 13.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.245 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.8 -35.97 3.81 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.928 -0.653 . . . . 0.0 113.642 174.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.782 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 10.8 mmmm -95.13 148.64 22.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.169 0.509 . . . . 0.0 111.737 -175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -88.37 109.62 20.14 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.796 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.646 HG22 ' O ' ' A' ' 69' ' ' ARG . 16.4 m -75.0 145.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.873 0.368 . . . . 0.0 110.266 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 65.6 mttm -126.93 116.01 20.15 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.887 0.375 . . . . 0.0 110.282 176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.617 HG22 HG22 ' A' ' 11' ' ' VAL . 36.1 t -104.11 114.98 45.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.5 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -120.46 159.22 25.59 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.063 -175.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.433 ' CE3' ' HG2' ' A' ' 6' ' ' PRO . 99.4 m95 -78.83 102.37 8.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.568 -0.531 . . . . 0.0 109.568 175.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -72.4 91.72 1.38 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.293 0.568 . . . . 0.0 110.23 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.94 114.68 14.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.169 -178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 31.8 m -103.9 104.49 43.35 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.718 175.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.918 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 8.0 Cg_exo -72.88 178.13 6.81 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.064 2.509 . . . . 0.0 112.586 -176.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.4 m -107.58 50.26 0.78 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.586 177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.3 p 52.11 -94.73 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.936 0.894 . . . . 0.0 112.445 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -68.27 93.59 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.208 0.528 . . . . 0.0 111.419 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -74.91 -51.97 12.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.485 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 53.7 69.43 0.71 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.663 0.602 . . . . 0.0 110.647 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -57.01 139.3 52.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.263 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.9 t -151.74 152.29 32.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.218 -177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.249 1.079 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.055 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.581 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 49.7 ttm . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.656 0.265 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.19 -17.55 63.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.0 110.431 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.61 -39.66 77.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.602 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 1' ' ' MET . 12.3 pt-20 -86.79 7.79 25.46 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.1 -171.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 20.8 ptm -126.48 71.95 72.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 121.187 0.518 . . . . 0.0 111.013 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.55 ' HG2' ' HE3' ' A' ' 80' ' ' TRP . 11.2 Cg_exo -71.21 127.43 13.44 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.63 2.22 . . . . 0.0 111.527 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.436 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 32.6 ttmt -97.89 4.91 49.53 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.69 0.757 . . . . 0.0 109.4 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 88.7 m -115.76 124.28 50.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.31 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.771 HD21 ' HB1' ' A' ' 59' ' ' ALA . 3.5 mm? -98.01 143.45 28.56 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.523 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.65 ' HB2' ' HB2' ' A' ' 81' ' ' ALA . 40.5 t80 -115.77 112.84 22.6 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.789 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 1.6 m -117.01 142.07 32.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.549 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -128.12 179.69 16.38 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.859 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 75' ' ' GLU . 61.9 t30 65.48 58.6 0.82 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.455 0.702 . . . . 0.0 110.64 -179.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.781 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.2 mm? -98.1 -177.38 3.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.605 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.444 ' HB2' ' HG3' ' A' ' 74' ' ' LYS . 27.9 t -148.62 148.65 30.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.561 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' H ' ' CD ' ' A' ' 16' ' ' ARG . 0.1 OUTLIER -66.06 -7.45 17.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.845 -179.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -76.71 -26.28 54.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 109.983 174.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 22' ' ' LEU . 42.4 t -74.73 141.62 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.295 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 22' ' ' LEU . 4.6 t -120.43 158.94 26.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.562 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -55.24 -46.8 76.03 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.73 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.32 -25.8 66.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.689 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 18' ' ' VAL . 60.0 tp -80.27 -50.63 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.207 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD11 HG11 ' A' ' 18' ' ' VAL . 38.0 mm -57.95 -53.56 43.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.372 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.47 -47.97 82.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.535 -176.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -62.32 -40.73 97.3 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.134 -176.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 34.3 mt -56.42 -47.57 78.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.881 0.372 . . . . 0.0 111.213 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.59 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 91.3 m-85 -78.66 -30.38 46.22 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.209 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.4 m -65.22 -26.73 68.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.154 0.502 . . . . 0.0 110.452 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.13 -22.79 67.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.327 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 36.1 mm -103.81 -52.86 7.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.774 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.82 165.99 26.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.933 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.97 120.01 7.16 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.813 2.342 . . . . 0.0 112.242 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.5 p -78.44 128.45 33.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.654 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -88.39 -51.19 5.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -170.96 153.92 4.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 108.933 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.7 m -136.1 108.16 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.94 0.4 . . . . 0.0 110.077 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -95.07 106.72 18.74 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.242 0.544 . . . . 0.0 110.532 -178.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.431 ' HG2' ' O ' ' A' ' 38' ' ' MET . 1.1 pmm? -87.36 102.37 14.45 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.52 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 28.2 mm -79.69 85.02 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.744 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 86.8 mmm -87.78 83.79 7.11 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 8.5 t70 -73.39 148.97 42.84 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.569 -177.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.1 t -80.11 -25.03 40.14 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.858 -172.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.45 -41.75 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.91 -34.28 77.64 Favored Glycine 0 C--N 1.331 0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 113.434 -174.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 41' ' ' ASP . 15.6 m120 -135.36 154.5 51.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.513 ' O ' ' HD2' ' A' ' 48' ' ' TYR . 6.3 t70 -84.2 128.09 63.77 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.666 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 2.6 Cg_endo -43.91 130.13 7.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 124.103 3.202 . . . . 0.0 114.542 -170.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.781 ' HA ' HD23 ' A' ' 14' ' ' LEU . 11.9 p90 -144.2 154.49 43.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.43 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 44.9 t -121.81 136.86 54.94 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.115 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -97.93 117.16 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.247 171.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 9' ' ' LEU . 46.1 t -113.24 114.25 46.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 -177.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -103.87 128.75 51.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.59 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 59.5 m-85 -105.67 174.77 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.881 178.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -100.23 -7.72 24.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.4 170.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 2.0 tm-20 -139.67 119.11 12.96 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.448 -170.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -77.75 -34.83 52.28 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -172.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -70.4 -26.06 63.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.343 0.592 . . . . 0.0 109.811 -177.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -83.01 -35.0 26.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.643 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.771 ' HB1' HD21 ' A' ' 9' ' ' LEU . . . -59.36 -39.92 84.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.426 175.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.09 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.284 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.13 -47.04 72.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.3 79.55 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.406 HD11 ' HD1' ' A' ' 80' ' ' TRP . 9.3 tt -54.98 -58.53 7.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.497 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.89 -28.88 63.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.779 -174.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.57 -31.08 41.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.862 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.28 -24.06 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -62.11 121.1 12.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.923 0.392 . . . . 0.0 110.138 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.43 9.3 60.39 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.756 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' O ' HG22 ' A' ' 76' ' ' VAL . 23.7 ttt180 -85.74 128.26 34.75 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 0.0 110.123 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.55 125.72 34.92 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.341 0.591 . . . . 0.0 110.454 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.555 HG22 ' HG2' ' A' ' 72' ' ' MET . 64.4 mt -125.82 119.05 53.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.889 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 71' ' ' ILE . 25.7 mmt 69.07 -74.59 0.08 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.877 0.735 . . . . 0.0 110.795 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.09 10.17 0.46 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.152 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' ' 15' ' ' SER . 67.8 mmtt -123.99 161.41 25.54 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.946 0.403 . . . . 0.0 110.741 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ASN . 37.3 tt0 -117.21 108.0 15.12 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.817 -177.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 69' ' ' ARG . 18.2 m -75.25 146.22 9.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.757 -174.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.789 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 85.1 mttt -132.09 107.07 8.4 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 HG12 ' A' ' 11' ' ' VAL . 25.1 t -97.81 105.49 17.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.103 -176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -115.78 149.71 38.08 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.55 ' HE3' ' HG2' ' A' ' 6' ' ' PRO . 2.7 p-90 -79.88 104.75 10.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.121 0.486 . . . . 0.0 110.606 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -68.46 97.64 0.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.94 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.82 116.25 19.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 -176.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.9 t -126.01 107.83 25.02 Favored Pre-proline 0 C--N 1.309 -1.196 0 CA-C-O 121.355 0.598 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.42 92.64 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.795 2.33 . . . . 0.0 111.003 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.5 m -63.53 108.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.169 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 m -130.29 30.24 4.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.306 0.575 . . . . 0.0 110.13 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' H ' ' CD ' ' A' ' 87' ' ' GLN . 5.4 pm0 -80.09 -14.52 58.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.668 179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -105.39 145.55 30.65 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.07 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.65 120.2 32.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.361 -177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.33 -35.46 8.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -108.49 98.25 7.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.137 0.494 . . . . 0.0 110.278 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.935 -0.555 . . . . 0.0 109.809 -178.012 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.55 -24.97 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.271 -174.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -70.53 -27.65 64.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.901 175.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -90.27 -31.89 16.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.434 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 69.1 mtm -112.76 89.39 13.16 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.59 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.95 98.26 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.523 2.149 . . . . 0.0 111.463 175.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -88.77 -12.25 42.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.875 178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.8 m -105.66 131.21 53.31 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.659 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.811 HD12 HD23 ' A' ' 63' ' ' LEU . 2.9 mm? -97.89 124.63 42.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.811 0.339 . . . . 0.0 110.144 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -91.19 100.89 13.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.769 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.674 HG22 HG22 ' A' ' 78' ' ' VAL . 41.1 t -103.7 117.49 49.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.33 172.38 14.18 Favored Glycine 0 N--CA 1.441 -1.017 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.501 177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.809 ' HA ' ' OD2' ' A' ' 46' ' ' ASP . 11.0 m120 66.44 64.13 0.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.582 0.706 . . . . 0.0 110.673 -176.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 48' ' ' TYR . 4.4 mm? -98.31 -169.51 1.82 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.979 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.447 ' HB2' HG23 ' A' ' 18' ' ' VAL . 65.5 m -148.17 164.3 34.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.775 0.321 . . . . 0.0 110.524 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 9.0 mpt_? -77.29 -13.82 59.86 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.187 -174.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -98.06 7.78 45.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.449 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG13 HD23 ' A' ' 22' ' ' LEU . 62.0 t -104.92 115.12 46.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.502 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.697 HG23 ' H ' ' A' ' 22' ' ' LEU . 9.5 t -96.06 159.3 15.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -173.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.41 -50.02 66.06 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.868 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -35.74 70.81 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.481 -177.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.697 ' H ' HG23 ' A' ' 19' ' ' THR . 51.9 tp -67.12 -52.63 39.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.033 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -56.72 -46.72 83.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.592 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mp -55.48 -49.57 72.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.099 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.25 -41.98 94.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.075 0.464 . . . . 0.0 111.434 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 HD12 ' HE1' ' A' ' 66' ' ' MET . 3.8 mm? -63.29 -38.2 90.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.701 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 67.9 m-85 -86.45 -32.54 20.78 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -57.25 -36.29 70.78 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.884 -177.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -68.53 -19.61 64.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.327 . . . . 0.0 111.307 -178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.413 HG21 ' N ' ' A' ' 62' ' ' ALA . 39.9 mm -91.51 -48.36 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.35 0.595 . . . . 0.0 109.537 176.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.49 ' HA3' ' CD2' ' A' ' 58' ' ' HIS . . . -158.31 155.82 26.82 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.054 176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HB2' ' HD2' ' A' ' 54' ' ' HIS . 17.3 Cg_exo -69.04 123.79 10.7 Favored 'Trans proline' 0 C--O 1.238 0.482 0 C-N-CA 122.797 2.331 . . . . 0.0 112.722 -178.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.8 p -104.53 141.51 36.26 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.757 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 54' ' ' HIS . 22.6 tptm -113.15 -33.19 6.08 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -128.12 147.95 50.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.464 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.9 t -150.36 124.23 9.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.098 -178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -122.45 105.72 10.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.495 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.46 104.56 16.6 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.396 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 13.5 mm -88.6 85.17 2.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.79 ' HA ' ' HB3' ' A' ' 47' ' ' PRO . 62.5 mtt -93.49 91.12 6.97 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.308 -178.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 7.2 t70 -81.69 152.26 27.16 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.59 179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -101.82 -19.29 15.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.253 -173.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.56 -26.05 0.19 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -172.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.41 -72.75 1.27 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.184 -177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 41' ' ' ASP . 19.0 m120 -104.39 158.26 16.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.951 0.405 . . . . 0.0 110.61 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.809 ' OD2' ' HA ' ' A' ' 13' ' ' ASN . 23.4 t70 -82.46 117.76 69.57 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 171.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.79 ' HB3' ' HA ' ' A' ' 40' ' ' MET . 2.2 Cg_endo -39.64 135.1 1.38 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 124.839 3.693 . . . . 0.0 114.494 -168.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.69 ' HA ' HD23 ' A' ' 14' ' ' LEU . 13.8 p90 -138.05 157.37 46.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.713 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.8 t -132.79 139.67 47.64 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.091 0.472 . . . . 0.0 111.453 -173.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.03 114.6 28.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.204 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.2 m -113.63 133.46 59.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.738 0.304 . . . . 0.0 110.838 176.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -108.58 130.37 55.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.174 -178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 27' ' ' PHE . 3.9 m-85 -105.18 157.48 17.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.541 177.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.458 ' HD2' ' HB2' ' A' ' 32' ' ' PRO . 98.8 m-70 -86.36 -10.66 53.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.552 176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' OE2' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -136.77 120.22 16.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.307 -175.149 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 76.5 t60 -68.33 -27.94 66.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.253 -178.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HB3' ' OE2' ' A' ' 55' ' ' GLU . 59.9 ttt180 -64.46 -51.18 64.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.457 -174.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' HA3' ' A' ' 31' ' ' GLY . 1.7 p-80 -90.76 -6.59 54.19 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.899 -0.721 . . . . 0.0 110.725 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.56 99.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 167.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.35 83.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.667 173.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 58' ' ' HIS . . . -57.22 -48.49 78.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.123 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 30' ' ' ILE . . . -64.52 -38.6 91.59 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.811 HD23 HD12 ' A' ' 9' ' ' LEU . 1.8 tm? -51.47 -58.44 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.113 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.47 -38.82 71.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.938 -175.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.537 ' HE1' HD12 ' A' ' 26' ' ' LEU . 40.8 tpp -87.63 -26.78 22.87 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.886 -0.325 . . . . 0.0 111.424 -174.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -68.15 117.92 10.6 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.144 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.15 10.04 57.63 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.577 -0.82 . . . . 0.0 111.948 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -81.17 159.43 24.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.888 0.375 . . . . 0.0 110.005 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -108.26 85.48 2.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 76' ' ' VAL . 66.7 mt -92.62 109.24 21.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.174 -178.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 24.0 mmt 67.88 -74.73 0.07 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 124.031 0.832 . . . . 0.0 111.487 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.06 33.7 0.17 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.235 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -135.94 141.85 44.53 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -75.27 109.67 8.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.822 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 71' ' ' ILE . 24.2 m -93.59 138.03 21.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.457 0.646 . . . . 0.0 111.16 -175.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 66.6 mttm -123.51 124.19 42.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.858 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.74 HG12 HD22 ' A' ' 63' ' ' LEU . 14.4 t -120.87 109.89 26.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.824 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -121.63 170.72 9.43 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.333 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -71.25 129.21 38.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.832 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.6 98.95 11.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.43 ' HB ' ' H ' ' A' ' 83' ' ' THR . 35.9 p -119.59 -149.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.995 -174.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.43 ' H ' ' HB ' ' A' ' 82' ' ' THR . 9.6 t -50.12 137.39 20.86 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.448 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.16 95.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.484 2.789 . . . . 0.0 113.049 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.6 m -91.06 80.08 5.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.635 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 m -62.04 -46.37 89.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.917 -174.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -159.62 130.35 5.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.826 0.346 . . . . 0.0 110.75 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -113.83 120.8 42.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.049 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? 60.61 44.12 11.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.041 174.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.82 144.87 55.14 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 176.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.5 m -90.7 83.32 5.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.133 0.492 . . . . 0.0 111.447 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.629 176.384 . . . . . . . . 0 0 . 1 stop_ save_