data_1r5s_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 1r5s _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.2 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.98 0.419 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -130.5 -46.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 26.1 mt-30 -70.44 -71.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -52.49 -21.77 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.52 -26.65 20.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.886 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.4 pttt -85.49 -37.99 19.09 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.413 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 1.1 mptm? -57.9 -16.86 13.41 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.749 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.61 -30.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.73 68.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.67 57.02 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -77.65 -0.08 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.326 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 110.644 179.846 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.336 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.523 ' ND2' ' HG2' ' A' ' 92' ' ' GLN . 11.5 p-10 -178.51 -121.53 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.571 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 14.7 pt20 -49.35 -33.32 13.18 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.099 0.476 . . . . 0.0 111.143 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.493 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 74.8 m-20 -68.77 -26.37 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.44 22.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HG2' ' HA ' ' A' ' 92' ' ' GLN . 62.2 pttt -75.98 -43.74 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.444 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.52 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 20.6 pttp -63.67 -10.47 19.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.681 0.277 . . . . 0.0 111.24 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -109.63 -51.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 0.0 110.461 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 101' ' ' HIS . . . -52.13 -40.87 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.15 59.77 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.95 -24.57 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 98' ' ' ALA . 8.0 p-80 -64.94 -14.06 58.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 111.183 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.465 -179.726 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.003 0.43 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -111.51 -38.21 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.437 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.2 mt-30 -65.52 -54.2 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -67.76 -13.5 62.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.173 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.52 -22.16 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.597 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 92' ' ' GLN . 20.3 pttp -89.93 -41.51 11.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -55.37 -17.83 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.6 p -57.66 -29.8 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.896 0.379 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.78 -44.96 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.95 58.31 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.0 -43.69 0.63 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.347 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.09 31.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.761 -179.645 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -157.63 -47.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.46 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 73.3 mt-30 -59.5 -53.83 53.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.385 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.315 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -52.34 65.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.656 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.6 -15.52 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.353 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.656 ' N ' ' HD3' ' A' ' 95' ' ' LYS . 23.2 tptp -65.07 -16.91 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.645 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.87 2.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.281 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.08 -28.88 66.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.7 55.56 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.85 -27.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 78.9 t60 -86.85 13.62 8.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.841 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -149.99 -46.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.425 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.0 mt-30 -61.84 -42.76 99.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -71.22 -23.37 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.769 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.01 -33.89 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 92' ' ' GLN . 20.5 pttp -78.15 -42.95 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -66.78 -7.79 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -120.21 -40.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.01 -35.42 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.281 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.84 60.22 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.04 -26.79 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.363 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -80.18 -0.95 38.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.553 0.216 . . . . 0.0 111.386 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -177.21 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.083 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -55.9 -64.06 0.98 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -63.11 -28.56 70.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.742 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.93 90.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -79.53 -37.68 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.987 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.67 -1.53 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 65.8 t -123.59 -40.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 110.989 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.46 66.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.98 57.63 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.57 -29.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.429 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 79.2 t60 -85.53 16.19 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.047 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.966 179.724 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 92' ' ' GLN . 14.7 p30 -121.84 -42.52 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.553 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 78.6 mt-30 -67.07 -56.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.031 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -67.51 -18.28 64.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.51 -20.56 20.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.0 pttt -90.21 -42.77 10.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.636 0.255 . . . . 0.0 111.448 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -74.68 -0.58 18.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.282 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.7 t -116.36 -25.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.659 0.266 . . . . 0.0 111.335 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.48 5.08 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.687 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.82 46.4 1.36 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.467 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.95 -28.33 0.73 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.777 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.88 -2.13 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.585 0.231 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 0.0 110.933 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -176.19 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.5 mt-30 -66.95 -55.72 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -66.75 -14.4 62.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.74 -21.42 16.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 20.5 pttp -88.69 -41.38 12.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.632 0.254 . . . . 0.0 111.264 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -76.22 0.68 18.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.621 0.248 . . . . 0.0 111.199 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.74 -37.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.59 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.26 57.94 3.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.32 -33.68 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.163 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.452 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 37.1 t-80 -71.01 -12.64 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.844 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.236 179.556 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 7.7 p-10 -113.7 -62.15 1.64 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.683 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.6 mt-30 -68.54 -49.72 57.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.598 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -67.63 -29.99 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.715 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.46 -32.05 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.452 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -78.71 -40.66 33.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.618 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.9 pttt -87.42 19.62 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.445 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -142.42 -35.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.118 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.95 -27.7 23.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.95 60.33 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.65 -22.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.652 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -67.05 -10.05 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.941 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.956 0.408 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -146.68 -46.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.422 ' HA ' ' HE2' ' A' ' 95' ' ' LYS . 85.0 mt-30 -68.53 -41.63 79.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -68.61 -20.47 64.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.53 -37.74 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.342 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 92' ' ' GLN . 62.7 pttt -73.04 -42.96 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.35 -10.41 24.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.44 -29.07 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.724 0.297 . . . . 0.0 111.342 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.73 89.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.52 52.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.325 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.4 -32.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.729 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 28.6 t-80 -63.17 -17.54 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.369 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.793 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 62.33 2.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.58 2.186 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.6 pt? -47.4 126.56 9.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -84.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -128.59 81.8 69.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.292 . . . . 0.0 110.668 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.02 49.8 3.28 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.659 2.239 . . . . 0.0 112.652 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -134.19 3.03 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.462 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 2.6 mppt? 51.89 31.21 8.09 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.832 0.349 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 59.56 24.45 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.6 t 52.44 91.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.98 22.71 8.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.412 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m 63.76 159.14 0.12 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -43.94 -60.47 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.812 2.341 . . . . 0.0 112.807 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -152.55 -62.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -124.39 -67.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.775 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.6 -34.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 15.0 m-85 58.82 27.97 16.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.007 0.432 . . . . 0.0 110.995 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 14.1 p90 -64.38 -16.48 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 18' ' ' PHE . 6.2 m120 69.74 -77.05 0.06 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.972 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.38 102.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.703 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -101.3 19.58 17.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.645 0.259 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t 50.19 26.36 2.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -72.02 112.21 13.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.521 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' ALA . 50.9 Cg_exo -52.97 -19.51 11.53 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.062 1.841 . . . . 0.0 111.13 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 p -59.13 75.53 0.01 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.197 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' PRO . . . -81.52 -51.43 0.86 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.242 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 37.0 Cg_exo -57.34 -158.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.593 2.195 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -130.98 -49.85 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.523 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 48.0 t 179.21 -46.97 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.289 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 29' ' ' SER . 2.9 Cg_exo -76.34 43.5 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.566 2.178 . . . . 0.0 112.201 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.1 ttp -74.68 162.75 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.814 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -100.3 88.53 0.95 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.433 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . 21.3 Cg_endo -60.74 174.84 1.47 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.463 2.109 . . . . 0.0 111.789 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 7.6 Cg_endo -49.76 87.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.749 2.299 . . . . 0.0 112.438 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -98.2 102.99 2.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 9.0 p90 -113.12 77.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.518 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -178.02 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 tp 62.87 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.7 t -140.04 -58.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.5 p 50.89 26.32 2.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.61 -74.78 0.35 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.167 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.05 114.18 12.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.443 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 98.9 mtt180 -57.62 -15.9 8.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 43' ' ' ARG . 19.3 m-80 83.25 -49.12 0.15 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.134 0.493 . . . . 0.0 110.435 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 46' ' ' SER . 12.3 p30 -128.2 5.67 5.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.262 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 17.7 m 83.0 -16.68 0.56 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.491 0.316 . . . . 0.0 111.061 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p 51.38 71.87 0.41 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.871 0.367 . . . . 0.0 111.324 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.8 m -152.02 -47.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 49' ' ' ARG . 1.1 mpt_? -105.17 66.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -120.37 -22.7 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.382 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 60.51 101.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -104.25 -46.21 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt 42.86 35.72 0.77 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -135.27 -176.76 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 56' ' ' SER . . . 69.3 -66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 55' ' ' ALA . 23.1 t 96.85 -59.36 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.273 0.629 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 13.7 pt-20 179.87 87.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 111.602 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -130.39 29.37 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -124.44 23.42 8.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.438 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 62' ' ' ASN . 7.6 p-90 -124.33 -28.4 3.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.211 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' O ' ' CE1' ' A' ' 63' ' ' TYR . . . 74.84 107.2 0.07 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.618 ' C ' ' H ' ' A' ' 64' ' ' SER . 18.8 p30 -82.83 -10.22 58.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 64' ' ' SER . 16.5 m-85 68.5 -27.83 0.15 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.912 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.618 ' H ' ' C ' ' A' ' 62' ' ' ASN . 40.9 m 72.78 42.54 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.525 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.26 27.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -114.54 -12.43 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.351 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -54.79 -44.87 74.16 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -55.27 -43.42 74.7 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.403 0.621 . . . . 0.0 109.498 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -62.26 -46.74 87.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.951 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 9.7 mmt -61.54 -32.74 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.097 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.39 -47.57 88.53 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -61.19 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.622 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -37.23 -48.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.795 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.55 -30.05 41.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.531 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.4 t -65.44 -24.51 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.0 p -61.58 -33.26 73.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mm 60.1 112.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 t -175.71 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -119.34 79.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.5 p -101.18 48.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.4 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 8.7 p80 -178.28 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.241 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' CB ' ' HB2' ' A' ' 86' ' ' ASP . . . 45.64 27.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.378 . . . . 0.0 111.372 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.509 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 60.0 mt-30 -91.58 -45.65 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.622 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 38.1 Cg_exo -61.47 -33.26 88.36 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.541 2.161 . . . . 0.0 112.876 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.622 ' CD1' ' HB2' ' A' ' 84' ' ' PRO . 1.8 p90 -159.18 -63.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.435 ' HB2' ' CB ' ' A' ' 82' ' ' ALA . 61.6 t0 66.02 27.11 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.506 ' HB2' ' HD3' ' A' ' 88' ' ' PRO . 39.1 m-85 -83.04 -46.52 0.84 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.518 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 87' ' ' PHE . 32.3 Cg_exo -59.33 -33.35 97.7 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.312 2.008 . . . . 0.0 112.127 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -90.98 50.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.74 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -152.07 41.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -130.5 -46.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 26.1 mt-30 -70.44 -71.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -52.49 -21.77 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.52 -26.65 20.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.886 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.4 pttt -85.49 -37.99 19.09 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.413 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.414 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 1.1 mptm? -57.9 -16.86 13.41 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.749 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.61 -30.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.73 68.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.67 57.02 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -77.65 -0.08 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.326 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -80.61 -33.04 36.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 110.644 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -175.82 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -138.58 134.43 17.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.016 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.77 -43.82 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.539 2.159 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.9 pp -146.99 167.18 24.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -167.72 49.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 2.0 mp 66.88 27.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.384 0.612 . . . . 0.0 110.031 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.62 49.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.19 -30.29 69.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.727 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 14.8 mp0 -71.75 -56.86 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.727 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER 104.25 -57.55 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.029 0.932 . . . . 0.0 111.709 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.52 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 81.8 Cg_exo -49.3 -51.48 10.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.173 1.916 . . . . 0.0 112.555 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 39.4 t 69.21 -4.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.4 t -100.64 -31.7 11.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.939 0.4 . . . . 0.0 110.613 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.502 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -79.74 -164.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.556 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 66.06 20.73 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.816 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 85.2 p 52.67 47.44 24.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.289 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t -77.41 -3.59 41.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.638 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' A' ' 123' ' ' SER . 76.2 mtp180 -95.55 -19.44 19.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 58.56 69.05 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.801 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.0 m 56.88 66.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.486 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 120' ' ' ARG . 36.1 t -114.21 29.68 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -129.3 133.7 25.43 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.378 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -67.89 -150.68 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 111.293 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.583 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 98.7 mtt180 -148.07 -50.85 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 6.1 Cg_exo -79.36 -31.29 2.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.634 2.222 . . . . 0.0 111.734 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 32.5 t70 169.19 -37.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.034 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' ' 128' ' ' ASP . 35.8 t70 169.27 44.32 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.194 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 4.0 mp 58.79 20.96 8.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.171 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -110.33 29.33 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.475 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.924 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.78 24.17 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.913 2.409 . . . . 0.0 112.919 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 3.9 mp 61.06 82.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.22 -43.35 0.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -148.12 71.16 11.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.9 2.69 8.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.854 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' ASP . 47.5 t -99.03 7.83 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.066 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 3.2 mptp? 65.28 -71.03 0.08 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 7' ' ' SER . 12.2 p-10 -154.39 -45.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.944 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t 65.0 -75.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.15 46.93 0.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 15' ' ' TYR . 50.3 m -141.79 126.02 10.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.55 0.214 . . . . 0.0 110.779 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.65 87.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.615 2.21 . . . . 0.0 112.882 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.455 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 11.9 mptt 57.25 62.74 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.264 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.404 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 45.5 t80 -138.17 74.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -98.61 -79.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.235 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 59.3 m-85 -153.38 41.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.12 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 9.5 p90 30.61 74.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.73 28.92 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.33 -96.53 0.16 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -178.4 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 111.006 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.7 t 62.97 26.46 15.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.5 m 56.09 67.76 2.68 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 3.45 7.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.682 2.255 . . . . 0.0 112.693 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -65.6 -38.96 90.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.828 0.347 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -178.33 -62.13 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.373 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 8.4 Cg_endo -50.36 151.24 10.01 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.745 2.297 . . . . 0.0 112.475 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.0 mm? -106.57 -32.46 8.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.77 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.533 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 46.1 t 177.88 -47.18 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.438 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 29' ' ' SER . 23.6 Cg_exo -64.48 -6.35 11.79 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.275 1.983 . . . . 0.0 112.487 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 2.3 tpt 63.18 96.48 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.409 ' N ' ' HE2' ' A' ' 31' ' ' MET . 49.4 m -115.69 82.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.443 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 32.3 Cg_exo -56.36 -47.66 23.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.519 2.146 . . . . 0.0 112.502 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 80.0 Cg_endo -79.26 -46.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.248 1.966 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 104.57 15.82 19.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.558 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 27.7 m-85 -141.64 30.06 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.763 0.316 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -135.29 28.07 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' O ' ' HB ' ' A' ' 39' ' ' VAL . 2.3 pp -63.52 139.69 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 38' ' ' LEU . 44.3 t 81.46 -28.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.78 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.2 m 66.11 -69.14 0.12 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.81 0.338 . . . . 0.0 111.068 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . 95.86 11.49 54.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.675 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -114.0 -32.06 6.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 2.8 ptp180 -109.32 -43.12 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -66.72 -65.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.495 ' O ' ' HB2' ' A' ' 46' ' ' SER . 74.7 m-20 -83.54 -34.02 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 19.8 m 87.66 -30.51 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.101 0.561 . . . . 0.0 111.006 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p 51.0 55.08 10.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.2 t -109.84 -20.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -164.26 32.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -99.63 39.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 64.14 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -178.52 128.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -116.74 37.07 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.15 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.62 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.7 p -171.05 72.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.8 pt-20 -65.46 75.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -130.03 32.38 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -85.25 5.39 30.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.436 ' CZ3' ' HB3' ' A' ' 62' ' ' ASN . 3.5 p-90 -129.99 -39.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.024 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 64.48 127.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.17 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.436 ' HB3' ' CZ3' ' A' ' 60' ' ' TRP . 18.9 p30 -109.12 34.45 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.037 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.94 -44.65 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.6 t -169.07 30.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.876 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.37 2.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.85 -27.18 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.521 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 99.2 mm-40 -60.05 -48.51 81.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.6 -40.78 75.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.338 0.59 . . . . 0.0 109.868 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -59.59 -44.1 93.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.756 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.521 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 20.0 ptp -75.65 -27.74 58.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.65 93.85 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -74.06 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.346 0.593 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.44 -32.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.679 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.53 -29.75 9.78 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.4 t -66.73 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.479 ' O ' ' HB ' ' A' ' 77' ' ' ILE . 52.1 m 69.27 -62.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 76' ' ' THR . 51.8 mt 84.14 -9.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.849 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.9 t -109.09 -25.75 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.538 ' O ' ' OG ' ' A' ' 80' ' ' SER . 22.7 t-20 -138.26 -35.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.538 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 71.9 p 67.62 53.1 0.73 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.203 0.525 . . . . 0.0 110.46 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.616 ' HD1' ' N ' ' A' ' 82' ' ' ALA . 3.5 p80 -108.55 -133.12 0.33 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.717 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.616 ' N ' ' HD1' ' A' ' 81' ' ' HIS . . . 87.72 49.54 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 109.645 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.616 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 2.4 mm100 -104.75 -50.29 0.12 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.676 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 79.5 Cg_endo -91.6 8.08 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.616 2.211 . . . . 0.0 112.543 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 5.4 m-30 87.47 -23.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.04 0.536 . . . . 0.0 110.968 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.6 19.11 10.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 10.2 m-30 -76.51 -44.05 3.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 87' ' ' PHE . 81.8 Cg_exo -46.24 115.84 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.478 2.119 . . . . 0.0 112.54 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 66.06 36.25 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.74 119.86 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.523 ' ND2' ' HG2' ' A' ' 92' ' ' GLN . 11.5 p-10 -178.51 -121.53 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.571 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 14.7 pt20 -49.35 -33.32 13.18 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.099 0.476 . . . . 0.0 111.143 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.493 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 74.8 m-20 -68.77 -26.37 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.44 22.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.571 ' HG2' ' HA ' ' A' ' 92' ' ' GLN . 62.2 pttt -75.98 -43.74 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.444 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.52 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 20.6 pttp -63.67 -10.47 19.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.681 0.277 . . . . 0.0 111.24 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -109.63 -51.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 0.0 110.461 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' HA ' ' CE1' ' A' ' 101' ' ' HIS . . . -52.13 -40.87 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.15 59.77 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.95 -24.57 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 98' ' ' ALA . 8.0 p-80 -64.94 -14.06 58.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 111.183 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 43.9 mt-10 -70.41 -16.59 62.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.465 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.439 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 2.5 tm? 76.67 -55.43 0.57 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 21.1 pt20 44.92 86.09 0.15 Allowed Pre-proline 0 N--CA 1.463 0.189 0 CA-C-O 120.944 0.402 . . . . 0.0 111.695 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.97 76.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.584 2.19 . . . . 0.0 112.294 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt 61.52 24.22 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.95 -40.4 14.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.2 mt -110.39 -24.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.8 p -89.58 51.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 111.31 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.69 55.14 3.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.872 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.413 ' C ' ' HD2' ' A' ' 113' ' ' PRO . 73.7 mt-30 59.31 64.47 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.36 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -38.85 -49.8 3.97 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.426 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.493 ' O ' ' HB3' ' A' ' 114' ' ' SER . 74.2 Cg_exo -43.0 -56.13 2.4 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.51 2.14 . . . . 0.0 112.332 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.493 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 27.4 t 81.37 -18.02 0.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.297 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -127.8 22.62 6.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.866 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.421 ' C ' ' H ' ' A' ' 118' ' ' SER . 23.5 tpp180 59.96 -102.31 0.13 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.961 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 68.47 -4.86 1.03 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.306 -0.246 . . . . 0.0 111.037 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 116' ' ' ARG . 80.2 p -112.56 37.63 3.0 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.999 0.428 . . . . 0.0 110.851 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -70.82 -6.93 41.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -57.45 -42.26 82.16 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 120.801 0.334 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 57.53 71.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.247 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 t 61.24 24.29 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.9 t 57.27 51.31 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.7 mtm-85 60.38 93.28 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.415 ' CG ' ' HA ' ' A' ' 129' ' ' ASP . 28.2 Cg_endo -64.29 -57.59 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.449 2.099 . . . . 0.0 112.268 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.655 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 59.5 ttp85 -177.58 -51.85 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.211 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.516 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 24.2 Cg_endo -96.27 65.96 0.16 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.361 2.707 . . . . 0.0 111.15 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.9 t0 72.1 -62.08 0.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.415 ' HA ' ' CG ' ' A' ' 125' ' ' PRO . 9.9 p-10 178.97 41.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.341 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 129' ' ' ASP . 73.8 mt 70.19 7.33 6.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.986 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -90.8 16.68 8.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.561 0.22 . . . . 0.0 111.159 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.481 HD12 HG22 ' A' ' 132' ' ' ILE . 56.1 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.38 136.53 55.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.558 2.172 . . . . 0.0 112.27 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 4.0 mp -85.86 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 -53.38 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.403 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -130.16 76.69 77.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.468 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.52 56.68 2.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.573 2.182 . . . . 0.0 112.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.4 m -138.6 6.16 2.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.381 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 62.68 -79.91 0.03 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.66 0.267 . . . . 0.0 110.968 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -151.79 144.03 23.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.1 m -123.2 -43.44 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.61 -65.23 1.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m 62.88 144.32 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.87 -69.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.676 2.251 . . . . 0.0 112.849 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.36 -54.05 4.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.339 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 62.69 104.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.317 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 17' ' ' TYR . . . -134.99 26.29 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.635 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.736 ' O ' ' N ' ' A' ' 19' ' ' ASN . 6.1 m-30 83.65 -2.22 1.13 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 1.3 p90 -50.18 71.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.248 0.547 . . . . 0.0 109.728 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.736 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.1 t30 -49.09 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.409 -178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.57 -90.1 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -71.19 131.42 43.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -57.19 -56.14 25.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.1 m -58.0 109.9 2.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.422 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' ALA . 52.8 Cg_exo -53.9 -20.53 18.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.054 1.836 . . . . 0.0 111.196 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.2 p -60.58 76.77 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.101 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 24' ' ' PRO . . . -67.13 -57.52 10.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -41.54 148.13 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.993 2.462 . . . . 0.0 112.931 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -165.2 -32.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.522 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.429 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 79.6 p -62.55 138.58 96.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.733 0.302 . . . . 0.0 111.194 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.37 -7.27 18.59 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.409 2.073 . . . . 0.0 111.737 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.7 ttp -43.77 -53.51 5.86 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.321 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.9 p 50.23 82.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.476 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 32.2 Cg_exo -57.38 -45.09 36.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.573 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 84.4 Cg_exo -46.6 -35.27 16.62 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.06 -106.57 0.55 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 64.5 60.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.283 0.563 . . . . 0.0 109.783 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -149.98 -45.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.195 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.6 tp 63.38 56.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.07 0.462 . . . . 0.0 110.651 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -109.49 -34.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.712 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.9 p -71.08 -29.54 65.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.081 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.39 18.11 9.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -153.06 23.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.9 mtp85 56.34 21.34 5.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.301 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 68.5 -66.76 0.22 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' HB3' ' A' ' 46' ' ' SER . 9.6 p30 -90.47 -40.42 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.251 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.498 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 27.0 t 81.54 32.28 0.12 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.229 0.538 . . . . 0.0 109.835 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 t -46.07 94.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.437 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.97 37.74 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' CE1' ' A' ' 51' ' ' TYR . 23.9 mmt180 -115.46 43.12 2.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.924 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.85 130.37 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' CE1' ' O ' ' A' ' 49' ' ' ARG . 2.6 m-85 -100.89 68.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -179.83 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 54.86 24.38 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.23 -175.4 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -159.34 40.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 55' ' ' ALA . 37.2 t 70.17 30.13 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.556 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 59.56 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 47.57 29.07 1.33 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.885 0.374 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -142.34 38.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -120.18 -33.2 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -142.81 -78.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.4 -59.16 0.45 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.579 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.516 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -124.27 -68.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.095 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.8 m -165.71 24.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.856 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.73 28.47 1.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.508 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -56.92 -46.04 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.398 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -54.14 -47.25 72.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.546 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 75.8 m-80 -52.74 -44.42 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.104 0.478 . . . . 0.0 110.004 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -45.61 93.56 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.999 178.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 92.9 mmm -62.33 -33.01 73.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.09 -48.6 82.04 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -57.74 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.34 0.591 . . . . 0.0 109.629 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.62 -47.4 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.722 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.41 -36.67 84.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.613 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -73.76 -30.14 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.2 p 53.37 19.06 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.8 mm 37.36 93.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.832 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.0 t -138.86 16.08 2.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 80' ' ' SER . 19.8 p30 -170.96 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.452 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.501 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 47.0 t 64.71 39.46 6.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.295 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -96.69 32.55 2.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.255 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 62.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.457 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.655 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 89.2 mt-30 -118.94 -59.59 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.655 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 94.1 Cg_endo -80.48 -15.1 11.32 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.935 1.757 . . . . 0.0 112.224 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.417 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 7.7 m-85 -84.62 -35.23 22.83 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 110.28 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 35.84 36.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -106.18 70.76 0.24 Allowed Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.668 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 21.9 Cg_endo -60.89 119.55 6.77 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.539 2.159 . . . . 0.0 112.137 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 88' ' ' PRO . 16.8 m-20 71.12 -55.44 0.65 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.991 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.95 43.56 21.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -111.51 -38.21 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.437 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.2 mt-30 -65.52 -54.2 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -67.76 -13.5 62.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.173 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.52 -22.16 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.597 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' A' ' 92' ' ' GLN . 20.3 pttp -89.93 -41.51 11.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -55.37 -17.83 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.6 p -57.66 -29.8 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.896 0.379 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -113.78 -44.96 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.95 58.31 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.0 -43.69 0.63 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.347 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.09 31.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -150.52 -48.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.761 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.434 HD21 ' HG2' ' A' ' 104' ' ' GLN . 3.2 tt -179.81 -57.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.434 ' HG2' HD21 ' A' ' 103' ' ' LEU . 19.5 pt20 -171.71 154.84 3.77 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.825 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.56 -54.33 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.54 2.16 . . . . 0.0 112.415 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.0 mt -86.03 76.46 9.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.466 ' O ' ' HB ' ' A' ' 108' ' ' ILE . . . -132.14 86.22 2.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 107' ' ' ALA . 21.0 mt 80.62 29.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.985 0.421 . . . . 0.0 110.716 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 47.1 t -144.5 53.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.725 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 14.4 mp0 -90.02 -51.0 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.725 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER 106.24 -58.9 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.476 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 -178.125 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.592 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 37.4 Cg_exo -61.42 76.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.189 1.926 . . . . 0.0 111.733 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 115' ' ' SER . 79.9 p -71.3 41.53 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.659 0.266 . . . . 0.0 110.809 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 113' ' ' PRO . 34.9 p 162.93 -38.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -75.47 -173.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.778 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 64.99 19.5 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.116 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.9 p 50.55 48.52 22.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -68.41 -10.94 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.606 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.98 -41.62 13.01 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.974 0.416 . . . . 0.0 110.707 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -46.07 -58.28 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.695 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.8 m -52.63 -55.55 21.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.3 p 50.2 76.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -71.14 112.05 12.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.21 122.65 6.25 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.468 2.112 . . . . 0.0 112.538 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.555 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 80.3 mtt-85 -158.19 -49.13 0.01 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.97 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 13.6 Cg_exo -71.05 61.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.567 2.178 . . . . 0.0 112.372 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.6 t0 55.86 41.79 29.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 69.03 37.82 2.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.341 0.591 . . . . 0.0 111.243 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 2.7 mp 40.46 26.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.453 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -74.98 -8.65 57.1 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.395 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 132' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.192 -0.909 . . . . 0.0 111.052 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 105.47 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.6 pt? -47.03 161.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.9 -29.35 9.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -127.5 67.96 72.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.52 17.27 1.79 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.835 2.356 . . . . 0.0 112.983 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 9' ' ' ASP . 52.3 m -113.96 0.15 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.174 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.0 mppt? 61.95 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' SER . 2.8 p30 -178.37 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.1 m 61.91 84.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.6 -42.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 m 62.62 147.23 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.81 -62.07 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.507 2.138 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 14' ' ' LYS . 9.8 tmtt? -168.79 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.8 t80 -129.15 142.83 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -175.42 -69.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 63.91 16.52 9.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 5.1 p90 -50.52 -24.85 3.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 18' ' ' PHE . 73.1 m-20 69.86 -64.82 0.34 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.58 74.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.0 m -112.92 138.64 49.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.989 0.423 . . . . 0.0 110.964 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -70.28 65.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.678 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.5 m -155.4 89.9 2.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.12 61.86 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.587 2.191 . . . . 0.0 111.651 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.0 m -83.3 -55.86 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.086 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 27' ' ' PRO . . . 53.72 62.48 9.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 26' ' ' ALA . 44.8 Cg_exo -56.65 -160.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.602 2.202 . . . . 0.0 112.471 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.3 mt -157.62 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.555 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.9 p -178.42 60.63 0.14 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.045 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -50.53 -45.0 37.02 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.315 2.01 . . . . 0.0 111.66 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -163.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.702 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.2 m -130.68 82.76 63.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 51.0 Cg_exo -52.04 -45.77 36.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.408 2.072 . . . . 0.0 112.491 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 6.6 Cg_exo -73.05 59.94 3.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.565 2.177 . . . . 0.0 112.319 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.97 61.78 2.12 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.58 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -114.87 43.09 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.593 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.65 -49.53 2.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.7 tp 57.2 165.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.821 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 49.6 t 66.95 59.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 70.0 m -95.25 39.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.63 30.26 12.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.77 32.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.4 mtp85 -156.78 36.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.92 -30.58 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -87.32 -50.53 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -175.2 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p 52.06 54.2 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.246 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.434 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 82.7 m -80.36 -65.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.589 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 48' ' ' CYS . 0.2 OUTLIER -179.04 42.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.67 179.398 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -152.79 83.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -99.3 87.26 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 15.5 p-10 -121.03 -35.24 3.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt 44.47 30.8 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 52' ' ' ASN . 97.9 mm-40 -93.2 -170.79 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.802 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.38 78.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -121.41 -57.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 13.4 pt-20 -169.27 -170.97 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 88.7 mm-40 79.78 26.78 0.36 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.513 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -123.89 26.3 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -129.52 -49.91 1.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 177.17 69.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.157 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -84.21 51.46 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.39 -50.94 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.57 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.4 t -168.56 30.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.03 49.5 14.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.362 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -74.87 -32.7 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.75 -40.62 97.81 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -54.24 -46.47 72.6 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.739 0.78 . . . . 0.0 109.13 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -57.31 -52.53 64.95 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 94.3 mmm -55.97 -37.52 69.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.301 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.03 -52.2 50.63 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -60.65 -61.84 2.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.61 177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.41 -27.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.315 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.44 -15.62 18.65 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.543 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.1 m -83.56 -21.69 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.692 0.282 . . . . 0.0 111.316 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 66.6 p -55.85 -39.74 71.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mm 50.57 93.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.391 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.1 p -127.8 -6.52 5.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.289 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.566 ' O ' ' OG ' ' A' ' 80' ' ' SER . 47.3 t30 178.93 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.566 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 58.0 p 71.88 67.44 0.14 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 83' ' ' GLN . 7.1 p80 -113.13 -139.16 0.38 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.71 29.08 0.26 Allowed 'General case' 0 C--O 1.231 0.083 0 O-C-N 122.084 -0.385 . . . . 0.0 111.353 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.636 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 15.0 pt20 -72.66 -31.16 1.49 Allowed Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.657 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 83' ' ' GLN . 20.1 Cg_exo -65.31 -21.24 61.71 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.841 1.694 . . . . 0.0 111.445 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.404 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 3.0 m-85 -114.99 -25.65 8.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p30 44.34 31.19 0.55 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.08 0.466 . . . . 0.0 111.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.422 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -114.22 60.51 1.02 Allowed Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.414 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.47 -74.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.582 2.188 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -104.11 35.76 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -95.34 71.55 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -157.63 -47.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.46 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 73.3 mt-30 -59.5 -53.83 53.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.385 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.315 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -52.34 65.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.656 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.6 -15.52 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.353 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.656 ' N ' ' HD3' ' A' ' 95' ' ' LYS . 23.2 tptp -65.07 -16.91 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.645 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.1 t -129.87 2.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.281 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.08 -28.88 66.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.7 55.56 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.85 -27.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 78.9 t60 -86.85 13.62 8.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 93.7 mt-10 -105.8 -23.42 12.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 72.0 mt 75.09 -55.69 0.64 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -104.91 99.62 19.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.27 47.85 2.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.597 2.198 . . . . 0.0 112.582 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 106' ' ' LEU . 4.0 mp 59.68 30.64 20.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.27 -30.52 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.43 HG21 HD12 ' A' ' 108' ' ' ILE . 57.0 mt -101.13 -43.99 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.474 ' HA ' ' NE ' ' A' ' 112' ' ' ARG . 10.3 p -76.66 63.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 111.2 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 111' ' ' GLN . 1.5 m-20 -75.0 -49.04 21.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.898 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ASP . 76.2 mt-30 -161.82 62.24 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.001 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' A' ' 109' ' ' VAL . 0.2 OUTLIER -38.11 -51.25 3.22 Favored Pre-proline 0 N--CA 1.463 0.212 0 CA-C-O 120.612 0.244 . . . . 0.0 110.833 178.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.493 ' O ' ' HB3' ' A' ' 114' ' ' SER . 60.2 Cg_exo -41.26 -47.7 5.32 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.759 2.306 . . . . 0.0 112.758 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.493 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 27.0 t 81.75 -25.13 0.17 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.855 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 113' ' ' PRO . 47.7 t -110.62 16.16 21.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 118' ' ' SER . 9.4 tpt180 58.03 -91.7 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.058 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 66.28 -7.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.907 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.526 ' C ' ' H ' ' A' ' 120' ' ' ARG . 41.8 t -95.82 -105.97 0.15 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.056 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.2 t 63.02 -3.85 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.588 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.526 ' H ' ' C ' ' A' ' 118' ' ' SER . 76.7 mtp180 -100.88 -34.87 9.62 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.84 -61.16 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.401 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 t -65.55 -35.43 80.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t 59.99 54.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 124' ' ' ARG . 37.0 ptt85 -177.58 106.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.74 -40.5 63.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.419 2.079 . . . . 0.0 112.113 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.589 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 79.8 ttt180 -179.91 -49.09 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 1.4 Cg_endo -85.78 45.66 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.182 2.588 . . . . 0.0 112.588 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 65.8 t0 55.6 53.26 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 65.86 28.09 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.157 0.503 . . . . 0.0 111.469 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 76.7 mt 67.44 -2.04 1.4 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.993 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 128' ' ' ASP . 12.5 pt-20 -99.03 24.93 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.386 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.429 HD13 HG23 ' A' ' 132' ' ' ILE . 55.7 mt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 145.31 35.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.603 2.202 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.5 pt? -148.82 127.8 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.7 -83.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 84.5 p -79.2 -34.27 0.92 Allowed Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' SER . 84.2 Cg_endo -89.52 11.4 2.9 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.533 2.155 . . . . 0.0 112.683 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -103.09 9.5 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 63.39 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.042 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.89 150.71 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.3 p -87.77 -41.46 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 112.28 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.48 0.181 . . . . 0.0 110.815 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.94 -65.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 0.0 112.462 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -111.01 22.8 14.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.101 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 57.43 106.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -130.08 77.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -115.62 -23.4 8.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -39.03 -32.6 0.09 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 18' ' ' PHE . 24.1 p30 145.89 -33.18 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.512 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -114.56 4.97 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.651 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.43 127.32 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.2 0.524 . . . . 0.0 111.419 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.7 m -58.18 -30.63 66.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.936 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 108.35 1.16 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.605 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' ALA . 31.1 Cg_exo -57.87 -17.36 29.8 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.06 1.84 . . . . 0.0 111.149 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.4 p -59.81 76.66 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.271 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' PRO . . . -60.51 -50.71 84.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 38.1 Cg_exo -57.33 -156.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.677 2.252 . . . . 0.0 112.304 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 pt? -140.85 -46.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -110.68 109.01 58.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.778 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.73 -28.05 81.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.256 1.971 . . . . 0.0 111.92 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.2 mtm 55.97 169.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.237 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 80.0 p -135.48 54.45 10.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.527 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.419 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 68.6 Cg_endo -73.37 174.27 12.41 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.572 2.181 . . . . 0.0 111.851 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 33' ' ' PRO . 9.9 Cg_endo -50.38 -19.43 4.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.71 40.51 4.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.24 110.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -124.45 40.11 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.809 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' CD1' ' C ' ' A' ' 38' ' ' LEU . 3.0 tm? -78.17 -36.85 47.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.0 t -114.52 -54.63 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.3 p 50.0 28.43 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.142 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.15 -24.8 74.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 61.72 40.19 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -112.88 -32.4 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -60.45 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.226 0.536 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 46' ' ' SER . 42.9 m-80 -65.76 -44.66 85.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.101 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.493 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 17.6 m 87.25 -40.19 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.9 p 52.06 29.32 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.3 m -110.43 -25.1 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 39.7 ptt180 -159.52 -46.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 45.95 93.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.508 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' CZ ' ' HD2' ' A' ' 49' ' ' ARG . 51.5 m-85 -71.56 98.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.854 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -128.71 66.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -87.48 48.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -117.99 27.72 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.187 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.53 72.75 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.993 0.425 . . . . 0.0 110.78 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.6 t -179.48 -34.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.029 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 65.09 -81.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 65.7 36.67 6.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.152 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -90.11 29.67 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.542 ' CZ3' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -154.19 -51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.185 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.63 79.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.205 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 75.9 m-80 -144.13 -75.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.544 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' CE1' ' CZ3' ' A' ' 60' ' ' TRP . 18.1 p90 -91.39 23.07 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.337 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.505 ' HB2' ' CH2' ' A' ' 60' ' ' TRP . 47.7 t -106.73 -24.65 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.394 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.54 -19.61 62.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.379 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.19 -20.13 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.368 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.526 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 86.8 mt-30 -62.18 -53.82 49.87 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.343 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -52.37 -42.04 63.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.281 0.562 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -43.6 96.96 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.07 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.526 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.9 ptm -75.34 -27.44 59.22 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.002 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.93 -47.59 89.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -74.83 -64.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.667 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.0 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.894 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -77.71 -26.53 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.2 p -61.54 -33.15 73.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.016 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.9 mm 57.63 103.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.8 m -163.28 -42.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.545 ' O ' ' OG ' ' A' ' 80' ' ' SER . 29.3 t-20 -56.53 -54.02 50.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 80.0 p 67.07 49.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.403 ' HB3' ' OD1' ' A' ' 79' ' ' ASN . 4.8 p80 -88.18 54.31 3.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.807 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' CB ' ' HA ' ' A' ' 86' ' ' ASP . . . -78.7 58.31 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.623 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 83.5 mt-30 -109.84 -50.15 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.006 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.623 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 17.2 Cg_exo -66.92 -30.59 39.61 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.279 1.986 . . . . 0.0 111.595 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -120.52 -36.46 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.686 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HA ' ' CB ' ' A' ' 82' ' ' ALA . 65.0 t0 48.94 44.88 22.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.617 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.15 53.29 2.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.465 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.52 -25.2 21.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.573 2.182 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.85 35.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.061 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -128.14 71.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -149.99 -46.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.425 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.0 mt-30 -61.84 -42.76 99.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -71.22 -23.37 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.769 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.01 -33.89 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 92' ' ' GLN . 20.5 pttp -78.15 -42.95 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -66.78 -7.79 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -120.21 -40.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.01 -35.42 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.281 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.84 60.22 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.04 -26.79 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.363 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -80.18 -0.95 38.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.553 0.216 . . . . 0.0 111.386 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.23 -31.22 25.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.462 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 1.5 pt? -174.62 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 64.19 139.38 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -86.63 50.55 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.631 2.221 . . . . 0.0 112.393 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.8 tp -111.9 -48.42 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.76 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 56.32 27.29 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.438 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.477 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 1.9 mp 68.39 41.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.467 0.651 . . . . 0.0 109.904 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.7 t 70.32 77.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.969 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.68 -30.93 26.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.239 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.486 ' HB2' ' HD3' ' A' ' 113' ' ' PRO . 8.3 mm-40 -80.57 -21.8 41.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.599 ' N ' ' HD3' ' A' ' 113' ' ' PRO . 1.0 OUTLIER 55.51 45.06 1.82 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.602 -178.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.599 ' HD3' ' N ' ' A' ' 112' ' ' ARG . 48.1 Cg_endo -89.5 -33.72 0.1 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.697 2.264 . . . . 0.0 112.897 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 115' ' ' SER . 49.8 m 63.07 2.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.935 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 113' ' ' PRO . 48.9 m 69.85 34.67 2.52 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -119.44 -7.12 10.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.322 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.43 -10.44 3.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.05 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.1 t -170.11 39.41 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.906 0.384 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -71.07 -8.93 56.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.548 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 39.3 ptt85 -70.82 -36.07 72.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 80.56 -56.8 0.33 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.308 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 m -165.22 36.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.8 m -71.24 74.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -128.42 72.48 80.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.53 134.74 49.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.52 2.147 . . . . 0.0 112.241 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.613 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 0.0 OUTLIER -163.32 -52.99 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 1.1 Cg_endo -83.68 59.41 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.893 2.395 . . . . 0.0 111.833 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 63.3 t0 64.79 32.94 10.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 128' ' ' ASP . 61.3 t0 78.37 30.61 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 66.9 mt 64.09 5.63 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.705 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.71 -16.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.918 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 171.84 13.97 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.602 2.201 . . . . 0.0 112.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.5 pt? -144.46 139.15 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.03 -59.28 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -153.2 64.62 5.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 -17.9 46.56 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.618 2.212 . . . . 0.0 112.469 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 t -86.33 5.44 34.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 58.47 64.45 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -50.41 93.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.292 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.98 -43.74 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.02 -25.88 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.6 m 62.93 146.45 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.87 -67.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.519 2.146 . . . . 0.0 112.471 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -156.33 148.51 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.7 t80 67.61 -66.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 17' ' ' TYR . . . 65.54 -82.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 61.7 m-85 -159.98 -112.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.345 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 1.1 m-85 40.35 33.94 0.2 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.123 0.487 . . . . 0.0 110.439 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -45.97 -71.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.449 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.55 -43.42 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.3 m -106.17 -26.74 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.82 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t 62.01 23.61 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -68.23 110.49 5.78 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.12 -13.18 30.26 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.275 1.983 . . . . 0.0 111.711 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.41 ' OG1' ' HD2' ' A' ' 27' ' ' PRO . 37.5 p -30.51 -58.88 0.2 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.483 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . 172.0 -49.94 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 18.7 Cg_exo -67.71 86.69 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.807 2.338 . . . . 0.0 113.064 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 26' ' ' ALA . 6.2 mp -134.62 32.85 3.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.498 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -179.04 142.21 0.39 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -67.7 -5.73 15.01 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.313 2.008 . . . . 0.0 111.6 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.508 ' HG2' ' HD2' ' A' ' 33' ' ' PRO . 40.8 ttp -46.78 167.16 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.483 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 65.7 m -34.64 -57.84 0.72 Allowed Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD2' ' HG2' ' A' ' 31' ' ' MET . 3.4 Cg_endo -46.86 171.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.522 2.148 . . . . 0.0 112.467 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.97 94.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.697 2.265 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.92 -48.71 1.14 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.38 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 67.82 47.96 1.08 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.248 0.547 . . . . 0.0 109.79 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.34 -46.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.126 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.5 tp -110.86 67.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.5 t 55.51 63.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.6 m -108.94 47.43 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.09 27.24 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.38 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.76 -47.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -98.27 38.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -103.57 -30.43 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -94.36 -55.04 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -178.62 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.8 p 51.82 73.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.434 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 80.3 m -131.72 -54.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HD2' ' CB ' ' A' ' 48' ' ' CYS . 6.2 mpt_? -131.91 -42.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.318 0.58 . . . . 0.0 109.52 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 50' ' ' ASN . 0.0 OUTLIER -48.26 129.19 15.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.698 179.603 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -137.17 37.6 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -92.24 -49.16 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 57.5 31.89 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.221 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -177.31 -171.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.42 62.54 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.1 p -161.0 -42.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 66.13 -73.38 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 56.95 25.28 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -105.83 32.04 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.459 ' CH2' ' HB3' ' A' ' 62' ' ' ASN . 3.1 p-90 -127.95 -28.8 2.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.343 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 77.16 109.92 0.07 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.0 111.363 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.459 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 23.4 p30 -99.33 51.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 2.6 m-85 -102.56 -49.98 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.237 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.6 m -159.06 26.6 0.21 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.015 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' CB ' ' NH1' ' A' ' 69' ' ' ARG . . . 47.0 32.59 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.16 -26.99 7.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -61.92 -52.39 64.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.832 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.52 -44.92 66.03 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.552 0.691 . . . . 0.0 109.531 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' NH1' ' CB ' ' A' ' 65' ' ' ALA . 10.4 mpt_? -53.63 -46.86 70.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.397 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.464 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 50.3 ttm -69.6 -32.47 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.924 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.11 -50.38 39.67 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.8 -57.05 12.22 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 70' ' ' MET . . . -36.87 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.421 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.1 -24.27 8.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.833 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 77' ' ' ILE . 47.9 t -84.35 -54.46 4.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.729 0.299 . . . . 0.0 110.732 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 82.5 p 53.43 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.568 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' SER . 60.7 mt 59.83 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.586 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -96.65 -14.51 22.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -133.6 75.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 81.0 p -90.19 -21.52 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.445 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.422 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.7 p80 177.59 -49.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 41.79 30.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.583 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 78.9 mt-30 -90.17 -46.28 0.4 Allowed Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 83' ' ' GLN . 84.5 Cg_endo -81.08 -19.91 7.79 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.266 1.977 . . . . 0.0 113.152 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 49.3 m-85 -111.97 -34.29 6.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 43.3 31.22 0.37 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.341 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.518 ' N ' ' HD2' ' A' ' 88' ' ' PRO . 17.5 m-30 -63.28 -49.23 80.58 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.461 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 87' ' ' PHE . 59.9 Cg_endo -72.71 -167.79 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.23 1.953 . . . . 0.0 112.507 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.84 39.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.712 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -121.6 80.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -177.21 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.083 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -55.9 -64.06 0.98 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -63.11 -28.56 70.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.742 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.93 90.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -79.53 -37.68 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.987 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.67 -1.53 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 65.8 t -123.59 -40.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 110.989 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.46 66.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.98 57.63 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.57 -29.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.429 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 79.2 t60 -85.53 16.19 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.047 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 49.5 mt-10 -114.18 -7.12 13.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.966 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 74.0 mt 73.82 -58.75 0.58 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 21.7 pt20 44.33 89.94 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.24 0 CA-C-O 120.858 0.361 . . . . 0.0 111.481 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.42 -25.08 13.27 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.609 2.206 . . . . 0.0 112.593 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 106' ' ' LEU . 1.6 pt? -141.3 139.77 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -98.6 18.59 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.308 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.478 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 2.5 mp 66.39 29.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.348 0.594 . . . . 0.0 110.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -152.1 45.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.031 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.44 -44.96 80.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.761 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 10.8 mm100 -75.03 -45.08 44.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.761 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.6 OUTLIER 107.59 -50.4 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 110.848 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.521 ' HD2' ' C ' ' A' ' 111' ' ' GLN . 67.9 Cg_endo -86.13 82.42 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.628 2.219 . . . . 0.0 111.949 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' ' 115' ' ' SER . 48.3 t -78.02 44.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 114' ' ' SER . 30.2 m 76.28 45.56 0.11 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.146 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -129.02 -118.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.87 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 73.91 -2.22 2.84 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.525 0.202 . . . . 0.0 111.13 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.5 t -130.96 42.47 3.23 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.0 0.429 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 t -72.4 -8.37 54.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.695 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -88.37 -42.4 12.21 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.033 0.444 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 79.33 -59.53 0.37 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.4 t -171.98 29.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t 49.34 43.19 23.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -109.46 86.55 4.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -78.1 137.77 15.69 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.637 2.225 . . . . 0.0 112.326 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.629 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 12.6 tpt180 -169.86 -50.87 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.281 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 8.4 Cg_endo -90.63 -70.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.137 2.558 . . . . 0.0 112.043 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -156.43 35.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.026 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' O ' ' OD1' ' A' ' 129' ' ' ASP . 8.9 t70 74.3 26.77 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 80.1 mt 63.74 1.5 1.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.743 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -100.69 25.68 7.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.252 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.497 HG22 HD11 ' A' ' 132' ' ' ILE . 54.5 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 -166.61 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.607 2.205 . . . . 0.0 112.206 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.417 ' C ' ' CD2' ' A' ' 3' ' ' LEU . 5.2 tt 63.87 100.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.79 -28.1 0.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.419 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -144.2 77.54 14.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -86.53 24.73 0.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.881 2.387 . . . . 0.0 112.862 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.5 t -100.44 -16.97 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 64.17 62.15 0.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -46.27 95.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.283 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -80.68 -50.18 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.46 60.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.7 m -109.75 95.76 21.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.65 0.262 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.84 -52.45 8.61 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.579 2.186 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -162.75 80.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' O ' ' CE2' ' A' ' 17' ' ' TYR . 8.7 t80 -172.03 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . 37.48 86.99 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CE2' ' O ' ' A' ' 15' ' ' TYR . 43.1 m-85 -150.43 9.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.455 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE2' ' CA ' ' A' ' 20' ' ' GLY . 1.9 p90 -49.36 -24.36 1.87 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.174 0.512 . . . . 0.0 110.129 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 68.25 34.9 3.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.583 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' CA ' ' CE2' ' A' ' 18' ' ' PHE . . . -122.28 41.83 1.76 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.507 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB2' ' HG3' ' A' ' 24' ' ' PRO . 65.5 m -100.24 136.75 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.6 t -52.86 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -142.54 69.24 20.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HG3' ' HB2' ' A' ' 21' ' ' CYS . 45.5 Cg_endo -66.63 -17.28 52.62 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.8 m -75.59 72.39 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.041 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -49.41 -48.49 74.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.537 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 37.3 Cg_exo -57.63 -155.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.6 pt? -133.25 -44.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -93.54 110.26 45.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.72 -22.65 29.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.505 2.137 . . . . 0.0 112.643 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.6 161.11 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.439 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 80.0 p -94.96 94.71 1.31 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HG2' ' HD3' ' A' ' 34' ' ' PRO . 1.5 Cg_endo -46.83 -58.35 1.77 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.278 1.985 . . . . 0.0 112.439 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' HD3' ' HG2' ' A' ' 33' ' ' PRO . 60.2 Cg_endo -71.55 61.91 2.86 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.362 2.041 . . . . 0.0 112.116 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.55 -57.55 19.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.721 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 59.78 31.71 20.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.55 25.51 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.2 tp -98.57 -30.72 12.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 ' CG1' ' CG ' ' A' ' 43' ' ' ARG . 26.9 m -122.94 27.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.373 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 67.4 m -86.22 57.96 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.43 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.41 -17.69 50.2 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.222 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.32 -35.69 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.695 0.283 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 20.5 mmt85 -68.66 124.29 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.055 0.455 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.471 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 20.4 p30 163.62 -37.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.205 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' SER . 20.6 p30 -114.94 -43.16 3.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.7 t 68.1 32.97 4.68 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.519 0.676 . . . . 0.0 109.426 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 48' ' ' CYS . 26.6 t -97.07 -172.07 2.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.068 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.436 ' N ' ' OG ' ' A' ' 47' ' ' SER . 53.9 t -179.57 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 50.5 mmt-85 -59.49 -26.82 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.982 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.45 -30.28 70.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ARG . 47.6 m-85 61.96 106.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.6 -39.02 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 50.19 40.61 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.3 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -148.27 60.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.33 78.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -105.68 -23.81 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 64.83 -77.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.21 26.16 6.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -131.95 42.05 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -113.57 -39.19 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.771 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.79 -32.4 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.499 ' C ' ' HD1' ' A' ' 63' ' ' TYR . 5.3 m120 60.09 19.21 8.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.041 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.499 ' HD1' ' C ' ' A' ' 62' ' ' ASN . 5.6 m-85 67.99 -48.28 0.53 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.79 0.329 . . . . 0.0 111.212 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 62' ' ' ASN . 50.8 m 66.69 31.16 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -145.71 -53.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.852 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' O ' ' HG2' ' A' ' 70' ' ' MET . 95.0 mt-10 58.43 19.49 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -59.04 -50.34 74.45 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.761 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -54.08 -42.4 69.29 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.432 0.634 . . . . 0.0 109.368 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.16 -47.54 85.71 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.7 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.53 ' CE ' ' HA ' ' A' ' 70' ' ' MET . 11.9 mmt -61.93 -31.56 71.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.194 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.63 -48.59 83.52 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.12 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.416 0.627 . . . . 0.0 109.58 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 -40.42 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.597 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.4 -36.01 50.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 t -67.98 -35.93 79.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.1 p 49.3 41.53 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.424 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mm -55.68 96.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.962 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -165.62 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -77.87 56.8 1.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.448 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -144.65 -43.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.925 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.481 ' HD1' ' N ' ' A' ' 82' ' ' ALA . 2.3 p80 -163.3 -117.38 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' N ' ' HD1' ' A' ' 81' ' ' HIS . . . 83.78 36.93 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.481 0.658 . . . . 0.0 109.377 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.624 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 78.1 mt-30 -94.61 -50.48 0.25 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.123 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.624 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 64.8 Cg_endo -90.55 15.39 1.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.657 2.238 . . . . 0.0 112.087 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.494 ' HB3' ' CD2' ' A' ' 87' ' ' PHE . 15.1 m-85 85.49 -15.52 0.51 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.668 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 10.0 t70 59.32 34.94 23.1 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.407 0.622 . . . . 0.0 109.822 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CD2' ' HB3' ' A' ' 85' ' ' PHE . 14.6 m-85 -129.9 71.4 82.18 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.037 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.2 -65.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.565 2.177 . . . . 0.0 112.117 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -110.85 29.04 8.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -109.86 110.48 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 92' ' ' GLN . 14.7 p30 -121.84 -42.52 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.553 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 78.6 mt-30 -67.07 -56.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.031 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -67.51 -18.28 64.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.51 -20.56 20.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.0 pttt -90.21 -42.77 10.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.636 0.255 . . . . 0.0 111.448 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -74.68 -0.58 18.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.282 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.7 t -116.36 -25.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.659 0.266 . . . . 0.0 111.335 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.48 5.08 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.687 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.82 46.4 1.36 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.467 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.95 -28.33 0.73 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.777 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.88 -2.13 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.585 0.231 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 47.2 mt-10 -81.36 -28.2 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.437 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 2.5 tm? 74.8 -56.83 0.62 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -149.39 100.83 3.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.695 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.482 ' HB2' ' CD2' ' A' ' 106' ' ' LEU . 87.8 Cg_exo -43.03 -48.39 7.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.718 2.279 . . . . 0.0 112.73 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 105' ' ' PRO . 1.5 pt? -161.23 -41.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.268 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 78.59 -5.62 2.02 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.403 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 33.9 mm 70.86 20.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-O 121.061 0.458 . . . . 0.0 110.994 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 44.0 t -154.77 50.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.853 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.76 -34.52 30.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.732 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 73.7 mt-30 -57.41 -46.87 83.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 33.5 mmt180 108.05 -50.09 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.648 0 C-N-CA 124.064 0.946 . . . . 0.0 111.505 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 51.9 Cg_exo -53.17 -65.01 0.15 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.106 1.87 . . . . 0.0 112.289 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t 62.99 9.22 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.9 t -155.13 -45.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.771 0.32 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.542 ' HD3' ' N ' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -91.43 -167.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.595 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 75.79 5.62 3.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.327 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -177.85 35.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.2 t -83.49 5.24 24.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.702 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -107.18 -26.02 11.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.74 0.305 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.3 -60.71 2.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.525 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.0 t 63.3 32.55 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.2 p 50.63 26.78 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.411 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -156.9 125.56 2.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 129' ' ' ASP . 13.9 Cg_endo -56.1 -81.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.544 2.163 . . . . 0.0 112.372 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.556 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 82.3 mtm180 -158.94 -49.13 0.01 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 4.4 Cg_exo -78.27 70.22 7.27 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.753 2.302 . . . . 0.0 112.567 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 48.22 30.93 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 131' ' ' GLU . 38.6 t70 59.84 27.36 16.67 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.498 ' C ' ' H ' ' A' ' 132' ' ' ILE . 86.2 mt 62.81 -66.34 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.127 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 129' ' ' ASP . 11.8 pt-20 44.33 13.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.498 ' H ' ' C ' ' A' ' 130' ' ' LEU . 55.1 mt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.96 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -167.74 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.579 2.186 . . . . 0.0 112.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt 61.04 31.39 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.93 -44.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -139.76 56.72 8.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.43 5.03 6.36 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.705 2.27 . . . . 0.0 112.886 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -102.54 11.93 37.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 64.26 -75.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -147.6 131.88 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.6 m -73.41 -58.36 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.05 63.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -118.09 80.45 15.23 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.751 0.31 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.13 -63.82 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.686 2.257 . . . . 0.0 112.554 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -155.13 97.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -176.93 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -65.4 103.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 57.7 m-85 -156.08 13.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.443 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.403 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 4.8 p90 -50.82 -25.67 4.76 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 18' ' ' PHE . 73.2 m-80 70.54 -68.11 0.22 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.152 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.85 -44.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -150.98 55.03 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.207 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.6 m 68.12 -62.88 0.35 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.6 m -42.94 105.03 0.4 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.609 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.69 63.32 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.661 2.241 . . . . 0.0 112.015 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -92.66 -32.88 14.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.89 57.7 9.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.31 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.87 170.73 14.84 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.521 2.147 . . . . 0.0 112.262 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -117.34 -61.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.463 ' N ' ' HD2' ' A' ' 30' ' ' PRO . 35.3 t 176.75 -55.68 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 29' ' ' SER . 48.4 Cg_endo -68.05 0.46 4.43 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.077 1.851 . . . . 0.0 112.518 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.3 ttp -112.14 117.32 32.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -147.97 87.65 5.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.431 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 51.0 Cg_exo -53.6 172.03 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.509 2.14 . . . . 0.0 111.846 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 33' ' ' PRO . 10.9 Cg_endo -53.13 86.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.82 33.56 4.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.451 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -128.2 142.27 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -170.71 -38.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.756 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.1 tp 62.92 147.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.4 t 64.71 52.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 57.2 m -150.25 40.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.689 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 10.8 23.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.688 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.84 6.21 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.682 0.277 . . . . 0.0 111.182 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 63.66 14.35 8.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 69.0 -65.58 0.28 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.161 0.505 . . . . 0.0 110.808 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -47.39 -63.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.531 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 47' ' ' SER . 79.5 p 179.72 -30.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 46' ' ' SER . 90.6 p 55.2 104.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.081 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.88 62.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 27.7 mmm180 -150.2 -44.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.9 m-20 83.07 -42.09 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.689 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 49' ' ' ARG . 7.1 m-85 65.03 -75.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -169.32 -45.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 60.31 27.76 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -113.79 -174.95 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.652 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.0 66.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.179 0.514 . . . . 0.0 110.665 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -131.68 -39.8 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.31 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 44.83 69.56 0.42 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.005 0.431 . . . . 0.0 111.325 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -132.15 29.27 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.747 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -121.22 21.61 11.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.422 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -128.75 -51.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 177.25 71.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.442 0.639 . . . . 0.0 110.469 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -59.05 -151.94 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.111 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -129.33 16.21 6.07 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 109.46 -179.511 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.2 p 53.94 36.75 25.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.133 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 53.43 61.07 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.279 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.74 -35.64 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 99.1 mm-40 -63.72 -48.24 77.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -56.96 -39.37 74.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.469 0.652 . . . . 0.0 109.687 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' CZ ' ' HB3' ' A' ' 69' ' ' ARG . 9.9 mtp-105 -59.56 -45.87 90.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.643 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.7 ptm -74.13 -28.44 61.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.7 89.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -72.56 -64.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.98 -39.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.532 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -33.8 22.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ILE . 47.3 t -62.71 -28.66 70.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.604 0.24 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 77' ' ' ILE . 44.0 p 56.57 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.394 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 49.9 mm 67.2 95.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.7 t -153.62 -43.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 80' ' ' SER . 26.8 t-20 -115.59 -55.64 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.723 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 46.1 m 71.28 37.85 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.774 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.402 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 10.1 p80 -71.25 -45.53 63.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.163 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 44.52 27.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.557 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.548 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 69.5 mt-30 -89.29 -48.18 0.41 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 9.3 Cg_endo -88.62 -13.05 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.915 2.41 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 5.0 m-30 87.52 -14.52 0.43 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.021 0.529 . . . . 0.0 111.017 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 43.88 28.15 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.09 0.471 . . . . 0.0 111.59 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' N ' ' HD2' ' A' ' 88' ' ' PRO . 15.3 m-30 -67.29 -48.84 46.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.118 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 87' ' ' PHE . 90.3 Cg_endo -79.63 -174.88 2.45 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.346 2.031 . . . . 0.0 112.347 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 47.61 27.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.375 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -157.34 77.12 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -176.19 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.5 mt-30 -66.95 -55.72 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -66.75 -14.4 62.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.74 -21.42 16.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 20.5 pttp -88.69 -41.38 12.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.632 0.254 . . . . 0.0 111.264 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -76.22 0.68 18.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.621 0.248 . . . . 0.0 111.199 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.74 -37.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.59 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.26 57.94 3.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.32 -33.68 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.163 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.452 ' ND1' ' O ' ' A' ' 101' ' ' HIS . 37.1 t-80 -71.01 -12.64 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.844 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 -37.79 16.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.236 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.0 mt 53.59 79.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.881 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -153.58 136.73 10.0 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.76 -43.35 38.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.493 2.128 . . . . 0.0 112.437 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' A' ' 106' ' ' LEU . 5.2 mp -75.77 -73.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 69.5 9.71 7.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.668 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.402 ' CG2' ' O ' ' A' ' 108' ' ' ILE . 33.9 mm 69.9 19.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.046 0.45 . . . . 0.0 111.082 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.521 ' O ' ' N ' ' A' ' 111' ' ' GLN . 34.5 m -135.13 -26.6 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.285 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.32 -49.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.742 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 98.9 mm-40 -112.14 -31.87 6.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.742 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.9 OUTLIER 102.54 -60.63 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.754 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 -178.628 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 91.0 Cg_exo -47.25 -60.23 0.96 Allowed 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.315 2.01 . . . . 0.0 112.625 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.499 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 21.2 m 81.53 -21.57 0.31 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.654 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -113.0 -3.73 13.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 64.41 109.96 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.701 0.763 . . . . 0.0 111.482 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -124.85 3.04 8.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.287 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.6 t -133.88 47.51 2.43 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.2 t -77.61 -3.25 39.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.741 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -109.78 -27.25 9.4 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.045 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 79.06 -55.54 0.44 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.6 t -61.24 -45.66 93.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.9 t 61.45 33.56 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 89.26 23.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.425 ' HG2' ' CD1' ' A' ' 130' ' ' LEU . 93.3 Cg_exo -45.23 -63.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.749 2.299 . . . . 0.0 112.553 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.635 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 79.8 ttt180 -170.37 -51.5 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.686 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 2.1 Cg_endo -87.89 44.1 0.94 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.018 2.478 . . . . 0.0 112.466 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.2 t0 55.56 53.57 9.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.999 0.428 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 68.06 34.96 3.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.488 0.661 . . . . 0.0 110.708 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 2.3 mp 48.48 23.7 0.64 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.8 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.45 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.799 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.405 ' C ' ' CD1' ' A' ' 132' ' ' ILE . 2.2 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.329 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.35 56.42 5.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.644 2.229 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 4.0 mp 53.11 88.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.25 -58.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.595 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -112.6 83.18 5.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.726 0.298 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.52 11.73 3.2 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.724 2.283 . . . . 0.0 112.975 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m -81.93 -23.75 35.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.875 0.369 . . . . 0.0 110.621 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 2.5 mmmp? 59.85 29.54 19.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.796 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 64.46 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.406 ' O ' ' CE1' ' A' ' 15' ' ' TYR . . . -154.52 29.77 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 m 60.86 102.29 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.528 0.204 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.87 -63.15 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.595 2.197 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.784 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.4 m-85 -56.64 119.7 6.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.363 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.22 29.36 7.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 56.51 20.23 4.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.41 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.31 -23.9 17.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.009 0.433 . . . . 0.0 110.213 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 67.3 -70.72 0.11 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.107 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.01 -50.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 22' ' ' SER . 91.0 m -151.33 -58.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.348 . . . . 0.0 111.433 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 73.9 m 68.59 28.53 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.764 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' THR . 35.0 t -99.93 112.1 63.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.45 65.74 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.528 2.152 . . . . 0.0 112.015 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' SER . 92.7 m -90.06 -52.68 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . . . 177.12 -52.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 26' ' ' ALA . 22.5 Cg_exo -64.5 -158.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.555 2.17 . . . . 0.0 112.147 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.9 mt -147.02 -47.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -87.91 140.75 31.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.39 -9.88 16.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.315 2.01 . . . . 0.0 111.583 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.4 ttp -44.89 157.38 0.07 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.4 m -112.94 93.05 22.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 39.5 Cg_exo -55.68 -47.23 26.48 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.44 2.093 . . . . 0.0 112.431 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 86.4 Cg_endo -81.66 65.26 8.63 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.66 58.09 5.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.615 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.26 32.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -96.16 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 pt? -129.51 -23.86 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.387 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 39' ' ' VAL . 22.0 t -98.16 40.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.153 0.501 . . . . 0.0 110.598 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 p -135.84 69.88 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.972 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.69 -32.21 5.09 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 59.3 m-20 -93.09 -84.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.104 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 99.3 mtt180 64.02 7.22 3.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.499 ' N ' HD21 ' A' ' 44' ' ' ASN . 0.0 OUTLIER 158.85 -102.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.542 0.337 . . . . 0.0 110.819 -179.643 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 46' ' ' SER . 23.5 p30 -105.79 -10.72 16.56 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 122.319 -0.238 . . . . 0.0 111.34 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.498 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 19.7 m 85.84 -46.29 0.06 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 122.917 0.487 . . . . 0.0 110.763 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.5 p 53.16 47.49 24.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.194 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.3 t -97.36 24.46 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 49' ' ' ARG . 8.8 mpt_? -100.86 24.08 9.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.983 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -102.72 -40.41 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.782 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 63.36 -77.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -156.03 -46.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 pttt 43.59 51.51 6.33 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.455 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -163.03 47.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.54 86.35 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -150.85 -43.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 65.73 76.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -115.74 13.87 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -117.4 34.37 5.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.425 ' CE3' ' HB2' ' A' ' 61' ' ' ALA . 19.2 p-90 -104.32 -41.23 5.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.122 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' CE3' ' A' ' 60' ' ' TRP . . . -153.53 16.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.2 m-80 -98.9 -6.31 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.594 0.235 . . . . 0.0 111.271 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 55.23 31.66 16.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.7 p -90.47 -29.05 18.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -103.43 -43.24 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 62.03 20.8 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.51 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 99.1 mm-40 -68.64 -59.86 2.82 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.806 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -51.6 -39.15 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.489 0.661 . . . . 0.0 109.68 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -45.63 90.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.641 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 20.6 ptp -75.43 -25.72 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.924 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.37 -44.99 97.34 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -72.85 -64.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.33 -32.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.654 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.53 -31.39 10.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.696 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' ILE . 92.5 p -74.11 -14.42 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.899 -0.177 . . . . 0.0 111.312 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 75' ' ' SER . 65.5 p 54.59 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 111.53 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' SER . 49.5 mm 64.81 98.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -106.93 -29.57 9.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' A' ' 80' ' ' SER . 46.0 t30 -127.25 -42.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.746 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.472 ' HB3' ' O ' ' A' ' 79' ' ' ASN . 33.4 t 76.01 68.67 0.07 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -117.23 21.75 12.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 86' ' ' ASP . . . -70.13 61.87 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.227 0.537 . . . . 0.0 111.294 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.604 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 83.5 mt-30 -118.35 -49.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.898 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.604 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 16.8 Cg_exo -68.32 -28.48 33.18 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.395 2.064 . . . . 0.0 112.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 84' ' ' PRO . 38.5 m-85 -135.92 -41.99 0.67 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.844 0.354 . . . . 0.0 111.098 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.44 ' HA ' ' CB ' ' A' ' 82' ' ' ALA . 9.8 t70 51.2 53.56 12.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.03 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -124.62 72.34 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.949 -179.119 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.19 169.27 0.71 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 111.984 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.451 ' HA ' ' HB2' ' A' ' 93' ' ' ASN . 1.5 m-20 60.6 67.45 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.546 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -108.04 -79.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 7.7 p-10 -113.7 -62.15 1.64 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.683 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.459 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.6 mt-30 -68.54 -49.72 57.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.598 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.451 ' HB2' ' HA ' ' A' ' 89' ' ' ASP . 72.8 m-20 -67.63 -29.99 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.715 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.46 -32.05 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.452 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -78.71 -40.66 33.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.618 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.9 pttt -87.42 19.62 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.445 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -142.42 -35.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.118 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.95 -27.7 23.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.95 60.33 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.65 -22.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.652 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -67.05 -10.05 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -58.31 -38.78 77.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 1.4 pt? -176.88 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.392 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -139.56 102.38 7.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.926 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.38 -10.7 27.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.558 2.172 . . . . 0.0 112.779 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 108' ' ' ILE . 2.2 tm? -55.61 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 110.539 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.45 ' C ' ' CD1' ' A' ' 108' ' ' ILE . . . 78.02 -57.85 0.47 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.539 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.45 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 4.6 mp -153.39 -53.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.816 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 112' ' ' ARG . 22.6 m -159.35 104.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.733 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -68.11 -39.02 82.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.46 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.731 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 3.9 mm100 -114.53 -34.96 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.469 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.731 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.6 OUTLIER 101.14 -60.47 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 111' ' ' GLN . 95.7 Cg_exo -45.52 -60.79 0.73 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.196 1.93 . . . . 0.0 112.683 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.3 p 53.15 15.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.1 p -97.93 -28.45 13.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.539 ' C ' ' H ' ' A' ' 118' ' ' SER . 47.9 mtp85 -64.17 -20.94 66.35 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.212 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 118' ' ' SER . . . -73.38 34.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.277 178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.539 ' H ' ' C ' ' A' ' 116' ' ' ARG . 89.2 p 54.94 31.96 17.01 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.068 0.461 . . . . 0.0 110.635 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.9 t -67.47 -9.82 45.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.671 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.06 -22.72 52.48 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -46.37 -59.54 2.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.631 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -55.61 -48.84 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.5 t 59.55 84.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -73.93 111.12 11.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.27 97.14 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.406 2.071 . . . . 0.0 112.257 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.646 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 2.5 tpm_? -93.47 -50.92 0.26 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.646 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 1.5 Cg_endo -84.7 53.22 3.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.064 2.509 . . . . 0.0 111.89 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 63.3 t0 64.88 32.56 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.42 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 128' ' ' ASP . 38.6 t70 72.42 45.19 0.37 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 130' ' ' LEU . 2.6 mp 42.29 26.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.252 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.63 -18.88 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 28.5 pt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.168 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 -173.49 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.271 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 1.4 pt? -145.59 123.61 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.76 -48.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -153.71 75.72 6.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.7 5.34 5.68 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.043 2.495 . . . . 0.0 112.772 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.0 m -80.61 -20.49 43.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 111.206 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 59.84 29.74 19.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.932 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 38.14 76.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.799 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.03 -28.75 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.768 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.38 -57.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.424 ' N ' ' HD3' ' A' ' 13' ' ' PRO . 59.4 m -164.92 59.82 0.69 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 12' ' ' SER . 55.5 Cg_exo -52.22 -65.97 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.548 2.166 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -102.7 49.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 59.52 77.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.19 119.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 m-30 67.71 29.4 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 14.9 p90 -64.3 -18.13 64.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.417 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 18' ' ' PHE . 6.1 m120 70.89 -64.51 0.37 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.85 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.25 95.39 0.1 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.5 m -89.53 37.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.516 0.198 . . . . 0.0 111.378 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.1 m 61.65 -81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.1 m -52.8 105.93 0.59 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.53 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.09 -18.61 23.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.015 1.81 . . . . 0.0 110.995 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.463 ' C ' ' HD3' ' A' ' 27' ' ' PRO . 46.7 p -59.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.239 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.548 ' N ' ' HD3' ' A' ' 27' ' ' PRO . . . -121.47 45.7 0.96 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.885 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' HD3' ' N ' ' A' ' 26' ' ' ALA . 54.1 Cg_exo -51.31 -167.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.383 2.055 . . . . 0.0 112.723 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.1 mt -136.33 -46.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.737 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -114.91 109.5 47.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.65 -25.57 11.45 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.468 2.112 . . . . 0.0 112.4 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mtm 62.33 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.661 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.573 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 56.5 m 55.78 56.07 9.87 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.357 . . . . 0.0 110.052 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HD3' ' N ' ' A' ' 32' ' ' SER . 22.9 Cg_exo -61.52 -48.1 10.12 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.482 2.121 . . . . 0.0 112.802 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.445 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 44.2 Cg_endo -79.86 -76.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.176 1.917 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.78 -58.54 1.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.569 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -112.67 106.23 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' VAL . 14.8 ptmm? -168.93 -49.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.6 tp 52.42 -86.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.632 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' LYS . 61.2 t -113.21 -41.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.803 0.335 . . . . 0.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 81.5 p 51.2 26.35 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.263 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.28 -77.03 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.568 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.04 99.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -61.95 -19.9 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 74.16 4.64 4.59 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.067 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -119.66 -34.02 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.931 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -178.76 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p 51.72 24.96 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -128.39 -21.49 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.375 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -176.99 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.767 0.317 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 67.21 -73.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -179.17 35.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.458 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.11 -44.88 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 54.0 29.1 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -147.26 -175.98 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -61.11 -41.26 96.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 43.5 t 69.36 26.06 5.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 56' ' ' SER . 66.3 mm-40 73.61 -100.29 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.206 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' OE1' ' HB3' ' A' ' 56' ' ' SER . 15.8 mp0 55.34 31.48 16.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -143.54 43.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.69 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -119.65 -38.72 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.73 0.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.193 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -84.5 63.51 7.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.186 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 63' ' ' TYR . 2.1 m-85 -134.4 -46.05 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.424 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -92.72 25.85 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.22 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.0 20.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.205 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -94.37 -34.75 12.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.506 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 9.6 mm100 -63.37 -48.74 76.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.778 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -55.37 -42.39 73.88 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.654 0.74 . . . . 0.0 109.409 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -56.53 -47.3 79.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.9 ptm -72.81 -30.26 63.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.37 35.98 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.649 -0.981 . . . . 0.0 110.649 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.94 -62.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.556 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.68 -27.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.484 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.5 -21.94 7.67 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.439 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.5 m -82.81 -48.48 10.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.9 p 52.38 23.38 2.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.452 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm 41.7 88.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 111.819 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 m -130.67 -14.4 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.146 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 80' ' ' SER . 0.9 OUTLIER -178.79 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.504 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 45.9 m 71.09 55.35 0.22 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.621 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.0 p80 -99.96 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.362 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 44.03 27.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.298 . . . . 0.0 111.446 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.531 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 87.0 mt-30 -90.82 -58.78 0.24 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.685 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.531 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 69.2 Cg_endo -73.31 -15.28 25.32 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.153 1.902 . . . . 0.0 112.636 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 40.1 m-85 86.38 -13.23 0.56 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.447 0.467 . . . . 0.0 111.192 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p30 44.49 30.42 0.49 Allowed 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 121.181 0.515 . . . . 0.0 111.135 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -107.47 66.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.618 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.55 -29.34 52.7 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.484 2.122 . . . . 0.0 112.331 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.6 44.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.73 43.75 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -146.68 -46.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.422 ' HA ' ' HE2' ' A' ' 95' ' ' LYS . 85.0 mt-30 -68.53 -41.63 79.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -68.61 -20.47 64.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.53 -37.74 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.342 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 92' ' ' GLN . 62.7 pttt -73.04 -42.96 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.35 -10.41 24.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.44 -29.07 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.724 0.297 . . . . 0.0 111.342 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.73 89.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.52 52.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.325 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.4 -32.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.729 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.425 ' ND1' ' O ' ' A' ' 101' ' ' HIS . 28.6 t-80 -63.17 -17.54 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.369 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 43.1 mt-10 -59.52 -41.92 91.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.427 ' HB3' ' O ' ' A' ' 102' ' ' GLU . 2.3 tm? 77.17 -52.06 0.55 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -157.79 156.22 28.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.784 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.87 -20.95 31.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.698 2.265 . . . . 0.0 112.562 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 106' ' ' LEU . 4.9 mp -78.5 -79.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 69.67 11.5 7.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.568 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 43.9 mt 71.46 37.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 110.55 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.7 t 66.53 55.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.42 -31.31 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.716 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 86.0 mt-30 -66.42 -48.28 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.716 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.8 OUTLIER 103.49 -58.54 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.075 0.95 . . . . 0.0 111.34 -179.226 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.496 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 83.5 Cg_exo -47.93 -60.53 0.84 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.238 1.959 . . . . 0.0 112.494 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.8 p 53.19 15.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.101 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 79.9 p -79.7 -27.6 40.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.54 ' C ' ' H ' ' A' ' 118' ' ' SER . 71.8 mtp180 -65.86 -21.01 66.44 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.26 34.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.54 ' H ' ' C ' ' A' ' 116' ' ' ARG . 89.6 p 55.38 32.04 18.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 121' ' ' ALA . 47.3 t -83.35 7.22 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.745 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 58.06 -75.53 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.503 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 119' ' ' SER . . . 166.79 -76.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.1 m -82.46 -41.41 19.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.7 t 60.06 43.2 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -77.7 125.25 86.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.8 98.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.439 2.093 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.55 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 38.4 mmt180 -132.75 -50.28 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.55 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 1.3 Cg_endo -85.17 -75.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.81 2.34 . . . . 0.0 112.814 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.404 ' O ' ' OD1' ' A' ' 128' ' ' ASP . 6.8 t70 -97.78 13.99 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 131' ' ' GLU . 38.5 t70 61.72 72.15 0.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -56.43 64.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.117 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.644 ' N ' ' O ' ' A' ' 129' ' ' ASP . 10.3 pt-20 -84.76 29.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.572 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.946 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.2 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.98 0.419 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -130.5 -46.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 85.1 mt-30 -70.44 -71.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -52.49 -21.77 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.52 -26.65 20.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.886 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.4 pttt -85.49 -37.99 19.09 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.413 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 1.1 mptm? -57.9 -16.86 13.41 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.749 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 101' ' ' HIS . 48.8 t -106.61 -30.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.73 68.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.67 57.02 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' HB2' HG12 ' A' ' 97' ' ' VAL . 78.4 t60 -77.65 -0.08 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.326 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 110.644 179.846 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.336 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.536 ' ND2' ' HG2' ' A' ' 92' ' ' GLN . 11.5 p-10 -178.51 -121.53 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 14.7 pt20 -49.35 -33.32 13.18 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.099 0.476 . . . . 0.0 111.143 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.507 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 74.8 m-20 -68.77 -26.37 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.44 22.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.59 ' HG2' ' HA ' ' A' ' 92' ' ' GLN . 62.2 pttt -75.98 -43.74 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.444 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 20.6 pttp -63.67 -10.47 19.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.681 0.277 . . . . 0.0 111.24 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -109.63 -51.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 0.0 110.461 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 101' ' ' HIS . . . -52.13 -40.87 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.15 59.77 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.95 -24.57 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 98' ' ' ALA . 8.0 p-80 -64.94 -14.06 58.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 111.183 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.465 -179.726 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.003 0.43 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -111.51 -38.21 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.448 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.2 mt-30 -65.52 -54.2 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -67.76 -13.5 62.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.173 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 97' ' ' VAL . . . -96.52 -22.16 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.597 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 92' ' ' GLN . 20.3 pttp -89.93 -41.51 11.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -55.37 -17.83 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 94' ' ' ALA . 12.6 p -57.66 -29.8 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.896 0.379 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' A' ' 102' ' ' GLU . . . -113.78 -44.96 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.95 58.31 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.0 -43.69 0.63 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.347 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -91.09 31.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 5.5 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.761 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -157.63 -47.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 73.3 mt-30 -59.5 -53.83 53.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.385 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.315 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -52.34 65.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.662 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.6 -15.52 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.353 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.662 ' N ' ' HD3' ' A' ' 95' ' ' LYS . 23.2 tptp -65.07 -16.91 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.645 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 97' ' ' VAL . 44.1 t -129.87 2.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.281 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.08 -28.88 66.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.7 55.56 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.85 -27.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 78.9 t60 -86.85 13.62 8.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.841 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -149.99 -46.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.0 mt-30 -61.84 -42.76 99.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 97' ' ' VAL . 23.7 p30 -71.22 -23.37 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.769 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -82.01 -33.89 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 20.5 pttp -78.15 -42.95 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -66.78 -7.79 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 93' ' ' ASN . 46.5 t -120.21 -40.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -89.01 -35.42 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.281 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 95' ' ' LYS . . . -81.84 60.22 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.04 -26.79 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.363 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -80.18 -0.95 38.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.553 0.216 . . . . 0.0 111.386 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -177.21 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.083 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -55.9 -64.06 0.98 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 97' ' ' VAL . 22.5 p30 -63.11 -28.56 70.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.742 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.93 90.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -79.53 -37.68 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.987 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.67 -1.53 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 93' ' ' ASN . 65.8 t -123.59 -40.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 110.989 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.46 66.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.98 57.63 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.57 -29.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.429 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 79.2 t60 -85.53 16.19 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.047 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.966 179.724 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 92' ' ' GLN . 14.7 p30 -121.84 -42.52 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.553 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 78.6 mt-30 -67.07 -56.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.031 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.412 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 23.4 p30 -67.51 -18.28 64.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.51 -20.56 20.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.0 pttt -90.21 -42.77 10.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.636 0.255 . . . . 0.0 111.448 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 93' ' ' ASN . 65.1 pttt -74.68 -0.58 18.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.7 t -116.36 -25.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.659 0.266 . . . . 0.0 111.335 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.48 5.08 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.687 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.82 46.4 1.36 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.467 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.95 -28.33 0.73 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.777 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.88 -2.13 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.585 0.231 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 0.0 110.933 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -176.19 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.5 mt-30 -66.95 -55.72 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 23.6 p30 -66.75 -14.4 62.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.74 -21.42 16.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 20.5 pttp -88.69 -41.38 12.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.632 0.254 . . . . 0.0 111.264 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 93' ' ' ASN . 65.1 pttt -76.22 0.68 18.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.621 0.248 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.74 -37.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.59 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.26 57.94 3.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.32 -33.68 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.163 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.452 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 37.1 t-80 -71.01 -12.64 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.844 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.236 179.556 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.42 ' ND2' ' HG3' ' A' ' 92' ' ' GLN . 7.7 p-10 -113.7 -62.15 1.64 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.683 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.6 mt-30 -68.54 -49.72 57.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.598 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -67.63 -29.99 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.715 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -75.46 -32.05 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.452 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -78.71 -40.66 33.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.618 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.9 pttt -87.42 19.62 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.445 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -142.42 -35.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.118 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -86.95 -27.7 23.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.95 60.33 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.65 -22.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.652 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -67.05 -10.05 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.941 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.956 0.408 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -146.68 -46.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HA ' ' HE2' ' A' ' 95' ' ' LYS . 85.0 mt-30 -68.53 -41.63 79.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -68.61 -20.47 64.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.53 -37.74 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.342 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 92' ' ' GLN . 62.7 pttt -73.04 -42.96 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.35 -10.41 24.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.44 -29.07 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.724 0.297 . . . . 0.0 111.342 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.73 89.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.52 52.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.325 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.4 -32.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.729 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 28.6 t-80 -63.17 -17.54 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.369 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.793 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 62.33 2.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.58 2.186 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.6 pt? -47.4 126.56 9.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -84.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -128.59 81.8 69.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.292 . . . . 0.0 110.668 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.02 49.8 3.28 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.659 2.239 . . . . 0.0 112.652 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -134.19 3.03 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.462 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 2.6 mppt? 51.89 31.21 8.09 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.832 0.349 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 59.56 24.45 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.6 t 52.44 91.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.98 22.71 8.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.412 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m 63.76 159.14 0.12 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -43.94 -60.47 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.812 2.341 . . . . 0.0 112.807 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -152.55 -62.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -124.39 -67.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.775 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.6 -34.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 15.0 m-85 58.82 27.97 16.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.007 0.432 . . . . 0.0 110.995 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 14.1 p90 -64.38 -16.48 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 18' ' ' PHE . 6.2 m120 69.74 -77.05 0.06 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.972 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.38 102.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.703 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -101.3 19.58 17.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.645 0.259 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t 50.19 26.36 2.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -72.02 112.21 13.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.521 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' ALA . 50.9 Cg_exo -52.97 -19.51 11.53 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.062 1.841 . . . . 0.0 111.13 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 p -59.13 75.53 0.01 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.197 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -81.52 -51.43 0.86 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.242 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.803 ' C ' HD22 ' A' ' 28' ' ' LEU . 37.0 Cg_exo -57.34 -158.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.593 2.195 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 27' ' ' PRO . 2.2 mm? -130.98 -49.85 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.521 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 48.0 t 179.21 -46.97 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.289 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 29' ' ' SER . 2.9 Cg_exo -76.34 43.5 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.566 2.178 . . . . 0.0 112.201 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 32' ' ' SER . 51.1 ttp -74.68 162.75 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.814 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 31' ' ' MET . 79.8 p -100.3 88.53 0.95 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . 21.3 Cg_endo -60.74 174.84 1.47 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.463 2.109 . . . . 0.0 111.789 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 7.6 Cg_endo -49.76 87.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.749 2.299 . . . . 0.0 112.438 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -98.2 102.99 2.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 9.0 p90 -113.12 77.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.56 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER -178.02 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.723 ' HG ' HG23 ' A' ' 39' ' ' VAL . 61.3 tp 62.87 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.723 HG23 ' HG ' ' A' ' 38' ' ' LEU . 52.7 t -140.04 -58.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' LYS . 82.5 p 50.89 26.32 2.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 121.61 -74.78 0.35 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.167 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.05 114.18 12.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.443 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 98.9 mtt180 -57.62 -15.9 8.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 43' ' ' ARG . 19.3 m-80 83.25 -49.12 0.15 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.134 0.493 . . . . 0.0 110.435 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 46' ' ' SER . 12.3 p30 -128.2 5.67 5.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.262 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 17.7 m 83.0 -16.68 0.56 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.491 0.316 . . . . 0.0 111.061 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p 51.38 71.87 0.41 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.871 0.367 . . . . 0.0 111.324 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.8 m -152.02 -47.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 49' ' ' ARG . 1.1 mpt_? -105.17 66.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -120.37 -22.7 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.382 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 60.51 101.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -104.25 -46.21 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt 42.86 35.72 0.77 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 19.2 pt20 -135.27 -176.76 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . 69.3 -66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.519 ' HB3' ' O ' ' A' ' 55' ' ' ALA . 23.1 t 96.85 -59.36 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.273 0.629 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 13.7 pt-20 179.87 87.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 111.602 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -130.39 29.37 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -124.44 23.42 8.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.438 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.52 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 7.6 p-90 -124.33 -28.4 3.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.211 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 60' ' ' TRP . . . 74.84 107.2 0.07 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.573 ' C ' ' H ' ' A' ' 64' ' ' SER . 18.8 p30 -82.83 -10.22 58.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 64' ' ' SER . 16.5 m-85 68.5 -27.83 0.15 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.912 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.573 ' H ' ' C ' ' A' ' 62' ' ' ASN . 40.9 m 72.78 42.54 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.525 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.26 27.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -114.54 -12.43 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.351 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -54.79 -44.87 74.16 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -55.27 -43.42 74.7 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.403 0.621 . . . . 0.0 109.498 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -62.26 -46.74 87.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.951 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.579 ' HE2' ' HA ' ' A' ' 70' ' ' MET . 9.7 mmt -61.54 -32.74 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.097 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.39 -47.57 88.53 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -61.19 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.622 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -37.23 -48.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.795 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.55 -30.05 41.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.531 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.4 t -65.44 -24.51 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.0 p -61.58 -33.26 73.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mm 60.1 112.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 t -175.71 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.641 ' OD1' ' HB2' ' A' ' 82' ' ' ALA . 23.8 t-20 -119.34 79.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.5 p -101.18 48.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 8.7 p80 -178.28 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.241 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.758 ' HB1' ' CG ' ' A' ' 86' ' ' ASP . . . 45.64 27.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.378 . . . . 0.0 111.372 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 60.0 mt-30 -91.58 -45.65 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.631 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 38.1 Cg_exo -61.47 -33.26 88.36 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.541 2.161 . . . . 0.0 112.876 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.631 ' CD1' ' HB2' ' A' ' 84' ' ' PRO . 1.8 p90 -159.18 -63.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.758 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 61.6 t0 66.02 27.11 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HB2' ' HD3' ' A' ' 88' ' ' PRO . 39.1 m-85 -83.04 -46.52 0.84 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.518 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 87' ' ' PHE . 32.3 Cg_exo -59.33 -33.35 97.7 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.312 2.008 . . . . 0.0 112.127 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -90.98 50.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.74 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -152.07 41.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -130.5 -46.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 85.1 mt-30 -70.44 -71.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -52.49 -21.77 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.52 -26.65 20.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.886 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.4 pttt -85.49 -37.99 19.09 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.413 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 1.1 mptm? -57.9 -16.86 13.41 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.749 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 101' ' ' HIS . 48.8 t -106.61 -30.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.73 68.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.67 57.02 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' HB2' HG12 ' A' ' 97' ' ' VAL . 78.4 t60 -77.65 -0.08 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.326 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -80.61 -33.04 36.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 110.644 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 103' ' ' LEU . 2.3 tm? -175.82 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.445 ' OE1' HD12 ' A' ' 103' ' ' LEU . 3.1 pm0 -138.58 134.43 17.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.016 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.77 -43.82 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.539 2.159 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 106' ' ' LEU . 1.9 pp -146.99 167.18 24.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.446 ' C ' HD12 ' A' ' 108' ' ' ILE . . . -167.72 49.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 108' ' ' ILE . 2.0 mp 66.88 27.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.384 0.612 . . . . 0.0 110.031 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 109' ' ' VAL . 10.2 p -146.62 49.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.19 -30.29 69.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.734 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 14.8 mp0 -71.75 -56.86 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.734 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER 104.25 -57.55 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.029 0.932 . . . . 0.0 111.709 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.553 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 81.8 Cg_exo -49.3 -51.48 10.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.173 1.916 . . . . 0.0 112.555 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 39.4 t 69.21 -4.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.4 t -100.64 -31.7 11.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.939 0.4 . . . . 0.0 110.613 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.521 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -79.74 -164.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.556 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 66.06 20.73 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.816 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 85.2 p 52.67 47.44 24.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.289 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t -77.41 -3.59 41.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.638 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 123' ' ' SER . 76.2 mtp180 -95.55 -19.44 19.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 58.56 69.05 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.801 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.0 m 56.88 66.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.486 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 120' ' ' ARG . 36.1 t -114.21 29.68 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -129.3 133.7 25.43 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.378 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.4 ' CB ' ' HA ' ' A' ' 129' ' ' ASP . 50.0 Cg_endo -67.89 -150.68 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 111.293 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.587 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 98.7 mtt180 -148.07 -50.85 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 6.1 Cg_exo -79.36 -31.29 2.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.634 2.222 . . . . 0.0 111.734 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 32.5 t70 169.19 -37.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.034 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 128' ' ' ASP . 35.8 t70 169.27 44.32 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.194 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 130' ' ' LEU . 4.0 mp 58.79 20.96 8.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.171 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -110.33 29.33 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.475 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.924 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.78 24.17 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.913 2.409 . . . . 0.0 112.919 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 3' ' ' LEU . 3.9 mp 61.06 82.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.22 -43.35 0.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -148.12 71.16 11.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.9 2.69 8.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.854 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' ASP . 47.5 t -99.03 7.83 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.066 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 3.2 mptp? 65.28 -71.03 0.08 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 7' ' ' SER . 12.2 p-10 -154.39 -45.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.944 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t 65.0 -75.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.15 46.93 0.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 15' ' ' TYR . 50.3 m -141.79 126.02 10.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.55 0.214 . . . . 0.0 110.779 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.65 87.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.615 2.21 . . . . 0.0 112.882 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 11.9 mptt 57.25 62.74 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.264 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.419 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 45.5 t80 -138.17 74.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -98.61 -79.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.235 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 59.3 m-85 -153.38 41.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.12 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 9.5 p90 30.61 74.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.73 28.92 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.33 -96.53 0.16 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -178.4 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 111.006 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.7 t 62.97 26.46 15.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.5 m 56.09 67.76 2.68 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 3.45 7.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.682 2.255 . . . . 0.0 112.693 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -65.6 -38.96 90.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.828 0.347 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.604 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -178.33 -62.13 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.373 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.604 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 8.4 Cg_endo -50.36 151.24 10.01 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.745 2.297 . . . . 0.0 112.475 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.0 mm? -106.57 -32.46 8.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.77 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.537 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 46.1 t 177.88 -47.18 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.438 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 29' ' ' SER . 23.6 Cg_exo -64.48 -6.35 11.79 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.275 1.983 . . . . 0.0 112.487 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.658 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 2.3 tpt 63.18 96.48 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -115.69 82.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 32.3 Cg_exo -56.36 -47.66 23.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.519 2.146 . . . . 0.0 112.502 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 33' ' ' PRO . 80.0 Cg_endo -79.26 -46.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.248 1.966 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 104.57 15.82 19.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.558 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 27.7 m-85 -141.64 30.06 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.763 0.316 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -135.29 28.07 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.909 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.3 pp -63.52 139.69 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 38' ' ' LEU . 44.3 t 81.46 -28.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.78 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 39' ' ' VAL . 86.2 m 66.11 -69.14 0.12 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.81 0.338 . . . . 0.0 111.068 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . 95.86 11.49 54.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.675 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -114.0 -32.06 6.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 2.8 ptp180 -109.32 -43.12 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -66.72 -65.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 46' ' ' SER . 74.7 m-20 -83.54 -34.02 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 19.8 m 87.66 -30.51 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.101 0.561 . . . . 0.0 111.006 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p 51.0 55.08 10.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.2 t -109.84 -20.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -164.26 32.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -99.63 39.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 64.14 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -178.52 128.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -116.74 37.07 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.15 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.62 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.7 p -171.05 72.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 10.8 pt-20 -65.46 75.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -130.03 32.38 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -85.25 5.39 30.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 62' ' ' ASN . 3.5 p-90 -129.99 -39.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.024 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.633 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . . . 64.48 127.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.17 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 60' ' ' TRP . 18.9 p30 -109.12 34.45 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.037 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.94 -44.65 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.6 t -169.07 30.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.876 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.37 2.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.85 -27.18 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.633 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 99.2 mm-40 -60.05 -48.51 81.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -56.6 -40.78 75.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.338 0.59 . . . . 0.0 109.868 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -59.59 -44.1 93.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.756 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.541 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 20.0 ptp -75.65 -27.74 58.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.65 93.85 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -74.06 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.346 0.593 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.44 -32.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.679 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.53 -29.75 9.78 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 76' ' ' THR . 46.4 t -66.73 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 78' ' ' SER . 52.1 m 69.27 -62.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 77' ' ' ILE . 51.8 mt 84.14 -9.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.849 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.634 ' H ' HG22 ' A' ' 76' ' ' THR . 47.9 t -109.09 -25.75 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.538 ' O ' ' OG ' ' A' ' 80' ' ' SER . 22.7 t-20 -138.26 -35.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.538 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 71.9 p 67.62 53.1 0.73 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.203 0.525 . . . . 0.0 110.46 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.619 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 3.5 p80 -108.55 -133.12 0.33 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.717 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 87.72 49.54 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 109.645 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.631 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 38.9 mm-40 -104.75 -50.29 0.12 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.676 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 79.5 Cg_endo -91.6 8.08 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.616 2.211 . . . . 0.0 112.543 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 5.4 m-30 87.47 -23.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.04 0.536 . . . . 0.0 110.968 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.6 19.11 10.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 10.2 m-30 -76.51 -44.05 3.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 87' ' ' PHE . 81.8 Cg_exo -46.24 115.84 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.478 2.119 . . . . 0.0 112.54 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 66.06 36.25 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.74 119.86 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.536 ' ND2' ' HG2' ' A' ' 92' ' ' GLN . 11.5 p-10 -178.51 -121.53 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 14.7 pt20 -49.35 -33.32 13.18 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.099 0.476 . . . . 0.0 111.143 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.507 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 74.8 m-20 -68.77 -26.37 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.44 22.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.59 ' HG2' ' HA ' ' A' ' 92' ' ' GLN . 62.2 pttt -75.98 -43.74 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.444 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 20.6 pttp -63.67 -10.47 19.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.681 0.277 . . . . 0.0 111.24 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -109.63 -51.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 0.0 110.461 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 101' ' ' HIS . . . -52.13 -40.87 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.15 59.77 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.95 -24.57 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 98' ' ' ALA . 8.0 p-80 -64.94 -14.06 58.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 111.183 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 43.9 mt-10 -70.41 -16.59 62.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.465 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 103' ' ' LEU . 2.5 tm? 76.67 -55.43 0.57 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 21.1 pt20 44.92 86.09 0.15 Allowed Pre-proline 0 N--CA 1.463 0.189 0 CA-C-O 120.944 0.402 . . . . 0.0 111.695 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.97 76.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.584 2.19 . . . . 0.0 112.294 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt 61.52 24.22 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.95 -40.4 14.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.2 mt -110.39 -24.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.576 ' O ' HG22 ' A' ' 109' ' ' VAL . 8.8 p -89.58 51.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 111.31 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.69 55.14 3.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.872 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' C ' ' HD2' ' A' ' 113' ' ' PRO . 30.4 mt-30 59.31 64.47 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.36 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HB2' ' HD3' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -38.85 -49.8 3.97 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.426 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.511 ' O ' ' HB3' ' A' ' 114' ' ' SER . 74.2 Cg_exo -43.0 -56.13 2.4 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.51 2.14 . . . . 0.0 112.332 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.511 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 27.4 t 81.37 -18.02 0.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.297 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -127.8 22.62 6.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.866 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 23.5 tpp180 59.96 -102.31 0.13 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.961 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 116' ' ' ARG . . . 68.47 -4.86 1.03 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.306 -0.246 . . . . 0.0 111.037 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.2 p -112.56 37.63 3.0 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.999 0.428 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -70.82 -6.93 41.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -57.45 -42.26 82.16 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 120.801 0.334 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 125' ' ' PRO . . . 57.53 71.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.247 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 t 61.24 24.29 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.9 t 57.27 51.31 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.7 mtm-85 60.38 93.28 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.442 ' HG2' ' HD2' ' A' ' 127' ' ' PRO . 28.2 Cg_endo -64.29 -57.59 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.449 2.099 . . . . 0.0 112.268 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.663 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 59.5 ttp85 -177.58 -51.85 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.211 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.516 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 24.2 Cg_endo -96.27 65.96 0.16 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.361 2.707 . . . . 0.0 111.15 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 127' ' ' PRO . 9.9 t0 72.1 -62.08 0.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.419 ' HA ' ' CG ' ' A' ' 125' ' ' PRO . 9.9 p-10 178.97 41.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.341 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.41 ' HG ' ' HG3' ' A' ' 125' ' ' PRO . 73.8 mt 70.19 7.33 6.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.986 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -90.8 16.68 8.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.561 0.22 . . . . 0.0 111.159 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.46 HG22 ' OXT' ' A' ' 132' ' ' ILE . 56.1 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.38 136.53 55.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.558 2.172 . . . . 0.0 112.27 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 3' ' ' LEU . 4.0 mp -85.86 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 -53.38 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.403 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -130.16 76.69 77.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.468 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.52 56.68 2.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.573 2.182 . . . . 0.0 112.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.4 m -138.6 6.16 2.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.381 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 62.68 -79.91 0.03 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.66 0.267 . . . . 0.0 110.968 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -151.79 144.03 23.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.1 m -123.2 -43.44 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.61 -65.23 1.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m 62.88 144.32 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.87 -69.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.676 2.251 . . . . 0.0 112.849 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.36 -54.05 4.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.339 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 62.69 104.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.317 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 17' ' ' TYR . . . -134.99 26.29 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.635 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.736 ' O ' ' N ' ' A' ' 19' ' ' ASN . 6.1 m-30 83.65 -2.22 1.13 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 1.3 p90 -50.18 71.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.248 0.547 . . . . 0.0 109.728 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.736 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.1 t30 -49.09 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.409 -178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.57 -90.1 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -71.19 131.42 43.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -57.19 -56.14 25.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.1 m -58.0 109.9 2.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.422 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' ALA . 52.8 Cg_exo -53.9 -20.53 18.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.054 1.836 . . . . 0.0 111.196 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.2 p -60.58 76.77 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.101 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -67.13 -57.52 10.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 94.5 Cg_exo -41.54 148.13 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.993 2.462 . . . . 0.0 112.931 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.907 HD22 ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -165.2 -32.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.522 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.907 ' N ' HD22 ' A' ' 28' ' ' LEU . 79.6 p -62.55 138.58 96.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.733 0.302 . . . . 0.0 111.194 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.37 -7.27 18.59 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.409 2.073 . . . . 0.0 111.737 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.7 ttp -43.77 -53.51 5.86 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.321 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.9 p 50.23 82.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.476 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 32.2 Cg_exo -57.38 -45.09 36.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.573 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 84.4 Cg_exo -46.6 -35.27 16.62 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.06 -106.57 0.55 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 64.5 60.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.283 0.563 . . . . 0.0 109.783 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -149.98 -45.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.195 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD13 ' HG2' ' A' ' 43' ' ' ARG . 44.6 tp 63.38 56.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.07 0.462 . . . . 0.0 110.651 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -109.49 -34.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.712 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.9 p -71.08 -29.54 65.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.081 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.39 18.11 9.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -153.06 23.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.586 ' HG2' HD13 ' A' ' 38' ' ' LEU . 53.9 mtp85 56.34 21.34 5.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.2 m120 68.5 -66.76 0.22 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 46' ' ' SER . 9.6 p30 -90.47 -40.42 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.251 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.52 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 27.0 t 81.54 32.28 0.12 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.229 0.538 . . . . 0.0 109.835 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 t -46.07 94.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.437 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.97 37.74 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' CE1' ' A' ' 51' ' ' TYR . 23.9 mmt180 -115.46 43.12 2.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.924 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.85 130.37 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' CE1' ' O ' ' A' ' 49' ' ' ARG . 2.6 m-85 -100.89 68.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -179.83 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 54.86 24.38 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.23 -175.4 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -159.34 40.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 55' ' ' ALA . 37.2 t 70.17 30.13 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.556 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 59.56 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 47.57 29.07 1.33 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.885 0.374 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.34 38.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -120.18 -33.2 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -142.81 -78.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.4 -59.16 0.45 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.579 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -124.27 -68.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.095 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.412 ' HB2' ' HG2' ' A' ' 66' ' ' GLU . 65.8 m -165.71 24.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.856 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' HD3' ' A' ' 69' ' ' ARG . . . 47.73 28.47 1.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.508 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 62.9 mm-40 -56.92 -46.04 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.398 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -54.14 -47.25 72.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.546 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -52.74 -44.42 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.104 0.478 . . . . 0.0 110.004 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -61.44 -45.61 93.56 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.999 178.579 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 92.9 mmm -62.33 -33.01 73.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.09 -48.6 82.04 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -57.74 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.34 0.591 . . . . 0.0 109.629 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.62 -47.4 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.722 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.41 -36.67 84.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.613 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -73.76 -30.14 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.2 p 53.37 19.06 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.8 mm 37.36 93.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.832 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.0 t -138.86 16.08 2.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 80' ' ' SER . 19.8 p30 -170.96 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.452 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.501 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 47.0 t 64.71 39.46 6.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.295 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.409 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 2.3 p-80 -96.69 32.55 2.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.255 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 62.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.457 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.701 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 89.2 mt-30 -118.94 -59.59 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 94.1 Cg_endo -80.48 -15.1 11.32 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.935 1.757 . . . . 0.0 112.224 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.417 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 7.7 m-85 -84.62 -35.23 22.83 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 110.28 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 35.84 36.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -106.18 70.76 0.24 Allowed Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.668 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 21.9 Cg_endo -60.89 119.55 6.77 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.539 2.159 . . . . 0.0 112.137 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' PRO . 16.8 m-20 71.12 -55.44 0.65 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.991 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.95 43.56 21.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -111.51 -38.21 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.448 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.2 mt-30 -65.52 -54.2 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -67.76 -13.5 62.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.173 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 97' ' ' VAL . . . -96.52 -22.16 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.597 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 92' ' ' GLN . 20.3 pttp -89.93 -41.51 11.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -55.37 -17.83 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 94' ' ' ALA . 12.6 p -57.66 -29.8 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.896 0.379 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' A' ' 102' ' ' GLU . . . -113.78 -44.96 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.656 ' HB1' ' HB3' ' A' ' 105' ' ' PRO . . . -81.95 58.31 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.0 -43.69 0.63 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.347 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -91.09 31.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 5.5 mm-40 -150.52 -48.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.761 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.481 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.2 tt -179.81 -57.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 107' ' ' ALA . 19.5 pt20 -171.71 154.84 3.77 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.825 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.656 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 26.2 Cg_endo -62.56 -54.33 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.54 2.16 . . . . 0.0 112.415 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.0 mt -86.03 76.46 9.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.477 ' O ' ' HB ' ' A' ' 108' ' ' ILE . . . -132.14 86.22 2.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 108' ' ' ILE . 21.0 mt 80.62 29.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.985 0.421 . . . . 0.0 110.716 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.603 HG12 ' CD ' ' A' ' 112' ' ' ARG . 47.1 t -144.5 53.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.733 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 4.1 mp0 -90.02 -51.0 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.733 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER 106.24 -58.9 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.476 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 -178.125 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.636 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 37.4 Cg_exo -61.42 76.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.189 1.926 . . . . 0.0 111.733 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 115' ' ' SER . 79.9 p -71.3 41.53 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.659 0.266 . . . . 0.0 110.809 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 113' ' ' PRO . 34.9 p 162.93 -38.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -75.47 -173.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.778 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 64.99 19.5 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.116 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.9 p 50.55 48.52 22.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -68.41 -10.94 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.606 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.98 -41.62 13.01 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.974 0.416 . . . . 0.0 110.707 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -46.07 -58.28 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.695 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.8 m -52.63 -55.55 21.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.3 p 50.2 76.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -71.14 112.05 12.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.21 122.65 6.25 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.468 2.112 . . . . 0.0 112.538 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.563 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 80.3 mtt-85 -158.19 -49.13 0.01 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.97 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 13.6 Cg_exo -71.05 61.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.567 2.178 . . . . 0.0 112.372 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.6 t0 55.86 41.79 29.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 69.03 37.82 2.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.341 0.591 . . . . 0.0 111.243 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 130' ' ' LEU . 2.7 mp 40.46 26.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.453 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.698 ' HG3' HG23 ' A' ' 132' ' ' ILE . 16.0 pt-20 -74.98 -8.65 57.1 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.395 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.716 ' H ' HD13 ' A' ' 132' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.192 -0.909 . . . . 0.0 111.052 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 105.47 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.6 pt? -47.03 161.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.9 -29.35 9.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -127.5 67.96 72.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.52 17.27 1.79 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.835 2.356 . . . . 0.0 112.983 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 9' ' ' ASP . 52.3 m -113.96 0.15 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.174 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 3.0 mppt? 61.95 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' SER . 2.8 p30 -178.37 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.1 m 61.91 84.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.6 -42.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 m 62.62 147.23 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.81 -62.07 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.507 2.138 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 9.8 tmtt? -168.79 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.8 t80 -129.15 142.83 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -175.42 -69.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 63.91 16.52 9.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -50.52 -24.85 3.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.0 m120 69.86 -64.82 0.34 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.58 74.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.0 m -112.92 138.64 49.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.989 0.423 . . . . 0.0 110.964 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -70.28 65.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.678 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.5 m -155.4 89.9 2.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.12 61.86 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.587 2.191 . . . . 0.0 111.651 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.0 m -83.3 -55.86 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.086 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' N ' ' HD3' ' A' ' 27' ' ' PRO . . . 53.72 62.48 9.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.514 ' O ' HD23 ' A' ' 28' ' ' LEU . 44.8 Cg_exo -56.65 -160.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.602 2.202 . . . . 0.0 112.471 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 27' ' ' PRO . 97.3 mt -157.62 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.555 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 79.9 p -178.42 60.63 0.14 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.045 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 29' ' ' SER . 65.3 Cg_exo -50.53 -45.0 37.02 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.315 2.01 . . . . 0.0 111.66 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -163.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.702 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.2 m -130.68 82.76 63.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.46 ' CD ' ' HD3' ' A' ' 34' ' ' PRO . 51.0 Cg_exo -52.04 -45.77 36.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.408 2.072 . . . . 0.0 112.491 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' CD ' ' A' ' 33' ' ' PRO . 6.6 Cg_exo -73.05 59.94 3.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.565 2.177 . . . . 0.0 112.319 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.97 61.78 2.12 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.58 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -114.87 43.09 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.593 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.65 -49.53 2.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 39' ' ' VAL . 40.7 tp 57.2 165.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.821 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 39' ' ' VAL . 49.6 t 66.95 59.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 40' ' ' THR . 70.0 m -95.25 39.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.63 30.26 12.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.77 32.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' HD3' HG22 ' A' ' 39' ' ' VAL . 54.4 mtp85 -156.78 36.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.92 -30.58 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -87.32 -50.53 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -175.2 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p 52.06 54.2 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.246 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.44 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 82.7 m -80.36 -65.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.589 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 48' ' ' CYS . 0.2 OUTLIER -179.04 42.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.67 179.398 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -152.79 83.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -99.3 87.26 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 15.5 p-10 -121.03 -35.24 3.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt 44.47 30.8 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 52' ' ' ASN . 97.9 mm-40 -93.2 -170.79 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.802 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.38 78.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -121.41 -57.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 13.4 pt-20 -169.27 -170.97 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 88.7 mm-40 79.78 26.78 0.36 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.513 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -123.89 26.3 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.6 p-90 -129.52 -49.91 1.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 60' ' ' TRP . . . 177.17 69.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.157 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 62' ' ' ASN . 0.5 OUTLIER -84.21 51.46 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.39 -50.94 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.57 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.4 t -168.56 30.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.03 49.5 14.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.362 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -74.87 -32.7 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.75 -40.62 97.81 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -54.24 -46.47 72.6 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.739 0.78 . . . . 0.0 109.13 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -57.31 -52.53 64.95 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 94.3 mmm -55.97 -37.52 69.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.301 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.03 -52.2 50.63 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 76' ' ' THR . 69.8 mt-30 -60.65 -61.84 2.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.61 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.41 -27.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.315 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.44 -15.62 18.65 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.543 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.1 m -83.56 -21.69 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.692 0.282 . . . . 0.0 111.316 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 72' ' ' GLN . 66.6 p -55.85 -39.74 71.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mm 50.57 93.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.391 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.1 p -127.8 -6.52 5.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.289 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.466 ' O ' ' OG ' ' A' ' 80' ' ' SER . 17.9 t-20 178.93 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 58.0 p 71.88 67.44 0.14 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 83' ' ' GLN . 7.1 p80 -113.13 -139.16 0.38 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.71 29.08 0.26 Allowed 'General case' 0 C--O 1.231 0.083 0 O-C-N 122.084 -0.385 . . . . 0.0 111.353 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.636 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 4.4 pt20 -72.66 -31.16 1.49 Allowed Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.657 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 83' ' ' GLN . 20.1 Cg_exo -65.31 -21.24 61.71 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.841 1.694 . . . . 0.0 111.445 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 3.0 m-85 -114.99 -25.65 8.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p30 44.34 31.19 0.55 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.08 0.466 . . . . 0.0 111.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -114.22 60.51 1.02 Allowed Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.414 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.47 -74.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.582 2.188 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -104.11 35.76 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -95.34 71.55 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -157.63 -47.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 73.3 mt-30 -59.5 -53.83 53.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.385 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.315 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -52.34 65.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.662 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.6 -15.52 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.353 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.662 ' N ' ' HD3' ' A' ' 95' ' ' LYS . 23.2 tptp -65.07 -16.91 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.645 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 97' ' ' VAL . 44.1 t -129.87 2.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.281 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.08 -28.88 66.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.7 55.56 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.85 -27.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 78.9 t60 -86.85 13.62 8.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 93.7 mt-10 -105.8 -23.42 12.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 72.0 mt 75.09 -55.69 0.64 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -104.91 99.62 19.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.27 47.85 2.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.597 2.198 . . . . 0.0 112.582 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 106' ' ' LEU . 4.0 mp 59.68 30.64 20.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.27 -30.52 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.13 -43.99 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.756 HG23 ' HD3' ' A' ' 112' ' ' ARG . 10.3 p -76.66 63.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 111.2 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 111' ' ' GLN . 1.5 m-20 -75.0 -49.04 21.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.898 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ASP . 31.4 mt-30 -161.82 62.24 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.001 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.756 ' HD3' HG23 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -38.11 -51.25 3.22 Favored Pre-proline 0 N--CA 1.463 0.212 0 CA-C-O 120.612 0.244 . . . . 0.0 110.833 178.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' O ' ' HB3' ' A' ' 114' ' ' SER . 60.2 Cg_exo -41.26 -47.7 5.32 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.759 2.306 . . . . 0.0 112.758 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 27.0 t 81.75 -25.13 0.17 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.855 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 t -110.62 16.16 21.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 118' ' ' SER . 9.4 tpt180 58.03 -91.7 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.058 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 116' ' ' ARG . . . 66.28 -7.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.907 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 120' ' ' ARG . 41.8 t -95.82 -105.97 0.15 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.056 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.2 t 63.02 -3.85 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.588 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 118' ' ' SER . 76.7 mtp180 -100.88 -34.87 9.62 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.84 -61.16 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.401 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 t -65.55 -35.43 80.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t 59.99 54.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 124' ' ' ARG . 37.0 ptt85 -177.58 106.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.74 -40.5 63.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.419 2.079 . . . . 0.0 112.113 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.586 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 79.8 ttt180 -179.91 -49.09 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.787 ' HG2' HD23 ' A' ' 130' ' ' LEU . 1.4 Cg_endo -85.78 45.66 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.182 2.588 . . . . 0.0 112.588 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 65.8 t0 55.6 53.26 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 65.86 28.09 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.157 0.503 . . . . 0.0 111.469 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.787 HD23 ' HG2' ' A' ' 127' ' ' PRO . 76.7 mt 67.44 -2.04 1.4 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.993 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 128' ' ' ASP . 12.5 pt-20 -99.03 24.93 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.386 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.961 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 145.31 35.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.603 2.202 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.639 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -148.82 127.8 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.7 -83.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 84.5 p -79.2 -34.27 0.92 Allowed Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' SER . 84.2 Cg_endo -89.52 11.4 2.9 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.533 2.155 . . . . 0.0 112.683 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -103.09 9.5 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 63.39 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.042 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.89 150.71 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.3 p -87.77 -41.46 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 112.28 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.48 0.181 . . . . 0.0 110.815 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.94 -65.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 0.0 112.462 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -111.01 22.8 14.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.101 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 57.43 106.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.46 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -130.08 77.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -115.62 -23.4 8.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -39.03 -32.6 0.09 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 18' ' ' PHE . 24.1 p30 145.89 -33.18 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.512 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -114.56 4.97 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.651 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.43 127.32 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.2 0.524 . . . . 0.0 111.419 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.7 m -58.18 -30.63 66.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.936 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 108.35 1.16 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.605 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' ALA . 31.1 Cg_exo -57.87 -17.36 29.8 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.06 1.84 . . . . 0.0 111.149 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.4 p -59.81 76.66 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.271 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -60.51 -50.71 84.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 38.1 Cg_exo -57.33 -156.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.677 2.252 . . . . 0.0 112.304 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.696 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.4 pt? -140.85 -46.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -110.68 109.01 58.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.778 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.73 -28.05 81.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.256 1.971 . . . . 0.0 111.92 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.2 mtm 55.97 169.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.237 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 80.0 p -135.48 54.45 10.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.527 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 68.6 Cg_endo -73.37 174.27 12.41 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.572 2.181 . . . . 0.0 111.851 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 33' ' ' PRO . 9.9 Cg_endo -50.38 -19.43 4.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.71 40.51 4.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.24 110.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HA ' HG23 ' A' ' 40' ' ' THR . 18.5 ptpt -124.45 40.11 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.809 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 38' ' ' LEU . 3.0 tm? -78.17 -36.85 47.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 41' ' ' GLY . 48.0 t -114.52 -54.63 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.407 HG23 ' HA ' ' A' ' 37' ' ' LYS . 82.3 p 50.0 28.43 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' H ' HG12 ' A' ' 39' ' ' VAL . . . -68.15 -24.8 74.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 61.72 40.19 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -112.88 -32.4 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -60.45 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.226 0.536 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 46' ' ' SER . 42.9 m-80 -65.76 -44.66 85.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.101 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 17.6 m 87.25 -40.19 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.9 p 52.06 29.32 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.3 m -110.43 -25.1 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 39.7 ptt180 -159.52 -46.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 45.95 93.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.508 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CZ ' ' HD2' ' A' ' 49' ' ' ARG . 51.5 m-85 -71.56 98.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.854 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -128.71 66.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -87.48 48.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -117.99 27.72 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.187 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.53 72.75 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.993 0.425 . . . . 0.0 110.78 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.6 t -179.48 -34.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.029 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 65.09 -81.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 65.7 36.67 6.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.152 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -90.11 29.67 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.542 ' CZ3' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -154.19 -51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.185 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.63 79.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.205 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -144.13 -75.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.544 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' CE1' ' CZ3' ' A' ' 60' ' ' TRP . 18.1 p90 -91.39 23.07 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.337 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.523 ' HB2' ' CH2' ' A' ' 60' ' ' TRP . 47.7 t -106.73 -24.65 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.394 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.54 -19.61 62.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.379 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.19 -20.13 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.368 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.552 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 86.8 mt-30 -62.18 -53.82 49.87 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.343 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -52.37 -42.04 63.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.281 0.562 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -43.6 96.96 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.07 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.552 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.9 ptm -75.34 -27.44 59.22 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.002 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.93 -47.59 89.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' THR . 86.8 mt-30 -74.83 -64.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.667 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.0 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.894 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -77.71 -26.53 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 72' ' ' GLN . 67.2 p -61.54 -33.15 73.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.016 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.9 mm 57.63 103.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.8 m -163.28 -42.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.532 ' O ' ' OG ' ' A' ' 80' ' ' SER . 29.3 t-20 -56.53 -54.02 50.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.532 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 80.0 p 67.07 49.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -88.18 54.31 3.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.807 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.785 ' HB1' ' HA ' ' A' ' 86' ' ' ASP . . . -78.7 58.31 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.626 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 83.5 mt-30 -109.84 -50.15 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.006 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 17.2 Cg_exo -66.92 -30.59 39.61 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.279 1.986 . . . . 0.0 111.595 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -120.52 -36.46 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.686 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.785 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 65.0 t0 48.94 44.88 22.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.617 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.15 53.29 2.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.465 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.52 -25.2 21.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.573 2.182 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.85 35.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.061 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -128.14 71.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -149.99 -46.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.0 mt-30 -61.84 -42.76 99.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 97' ' ' VAL . 23.7 p30 -71.22 -23.37 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.769 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -82.01 -33.89 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 20.5 pttp -78.15 -42.95 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -66.78 -7.79 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 93' ' ' ASN . 46.5 t -120.21 -40.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -89.01 -35.42 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.281 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 95' ' ' LYS . . . -81.84 60.22 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.04 -26.79 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.363 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -80.18 -0.95 38.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.553 0.216 . . . . 0.0 111.386 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.23 -31.22 25.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.652 ' N ' HD23 ' A' ' 103' ' ' LEU . 1.5 pt? -174.62 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.429 ' OE1' ' HD2' ' A' ' 105' ' ' PRO . 4.2 tp60 64.19 139.38 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.429 ' HD2' ' OE1' ' A' ' 104' ' ' GLN . 83.9 Cg_endo -86.63 50.55 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.631 2.221 . . . . 0.0 112.393 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.8 tp -111.9 -48.42 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.76 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.421 ' C ' HD12 ' A' ' 108' ' ' ILE . . . 56.32 27.29 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.438 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 108' ' ' ILE . 1.9 mp 68.39 41.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.467 0.651 . . . . 0.0 109.904 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 112' ' ' ARG . 46.7 t 70.32 77.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.68 -30.93 26.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.239 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.48 ' HB2' ' HD3' ' A' ' 113' ' ' PRO . 8.3 mm-40 -80.57 -21.8 41.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.621 ' N ' ' HD3' ' A' ' 113' ' ' PRO . 1.0 OUTLIER 55.51 45.06 1.82 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.602 -178.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 112' ' ' ARG . 48.1 Cg_endo -89.5 -33.72 0.1 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.697 2.264 . . . . 0.0 112.897 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 115' ' ' SER . 49.8 m 63.07 2.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.935 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 113' ' ' PRO . 48.9 m 69.85 34.67 2.52 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -119.44 -7.12 10.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.322 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.43 -10.44 3.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.05 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.1 t -170.11 39.41 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.906 0.384 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -71.07 -8.93 56.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.548 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 39.3 ptt85 -70.82 -36.07 72.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.063 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 120' ' ' ARG . . . 80.56 -56.8 0.33 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.308 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 m -165.22 36.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.8 m -71.24 74.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -128.42 72.48 80.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.53 134.74 49.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.52 2.147 . . . . 0.0 112.241 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.616 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 0.0 OUTLIER -163.32 -52.99 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.655 ' HG2' HD23 ' A' ' 130' ' ' LEU . 1.1 Cg_endo -83.68 59.41 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.893 2.395 . . . . 0.0 111.833 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 63.3 t0 64.79 32.94 10.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 128' ' ' ASP . 61.3 t0 78.37 30.61 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.655 HD23 ' HG2' ' A' ' 127' ' ' PRO . 66.9 mt 64.09 5.63 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.705 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.71 -16.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.918 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 171.84 13.97 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.602 2.201 . . . . 0.0 112.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.683 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -144.46 139.15 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.03 -59.28 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -153.2 64.62 5.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 -17.9 46.56 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.618 2.212 . . . . 0.0 112.469 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 t -86.33 5.44 34.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 58.47 64.45 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -50.41 93.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.292 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.98 -43.74 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.02 -25.88 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.6 m 62.93 146.45 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.87 -67.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.519 2.146 . . . . 0.0 112.471 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -156.33 148.51 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.7 t80 67.61 -66.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 17' ' ' TYR . . . 65.54 -82.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 61.7 m-85 -159.98 -112.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.345 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 1.1 m-85 40.35 33.94 0.2 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.123 0.487 . . . . 0.0 110.439 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.723 HD21 ' H ' ' A' ' 19' ' ' ASN . 1.4 m-80 -45.97 -71.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.449 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.55 -43.42 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.3 m -106.17 -26.74 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.82 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t 62.01 23.61 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.886 ' O ' HD11 ' A' ' 28' ' ' LEU . 73.3 m -68.23 110.49 5.78 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.12 -13.18 30.26 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.275 1.983 . . . . 0.0 111.711 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 37.5 p -30.51 -58.88 0.2 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.483 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . 172.0 -49.94 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.804 ' C ' HD12 ' A' ' 28' ' ' LEU . 18.7 Cg_exo -67.71 86.69 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.807 2.338 . . . . 0.0 113.064 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.886 HD11 ' O ' ' A' ' 23' ' ' SER . 6.2 mp -134.62 32.85 3.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.498 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -179.04 142.21 0.39 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -67.7 -5.73 15.01 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.313 2.008 . . . . 0.0 111.6 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.529 ' HG2' ' HD2' ' A' ' 33' ' ' PRO . 40.8 ttp -46.78 167.16 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 65.7 m -34.64 -57.84 0.72 Allowed Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.529 ' HD2' ' HG2' ' A' ' 31' ' ' MET . 3.4 Cg_endo -46.86 171.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.522 2.148 . . . . 0.0 112.467 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.97 94.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.697 2.265 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' H ' HG21 ' A' ' 40' ' ' THR . . . -103.92 -48.71 1.14 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.38 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 67.82 47.96 1.08 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.248 0.547 . . . . 0.0 109.79 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.34 -46.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.126 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.5 tp -110.86 67.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.695 HG22 ' HB2' ' A' ' 43' ' ' ARG . 48.5 t 55.51 63.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 40' ' ' THR . 75.6 m -108.94 47.43 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.09 27.24 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.38 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.76 -47.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.695 ' HB2' HG22 ' A' ' 39' ' ' VAL . 53.5 mtp85 -98.27 38.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -103.57 -30.43 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -94.36 -55.04 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -178.62 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.8 p 51.82 73.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 80.3 m -131.72 -54.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' HD2' ' CB ' ' A' ' 48' ' ' CYS . 6.2 mpt_? -131.91 -42.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.318 0.58 . . . . 0.0 109.52 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.5 p30 -48.26 129.19 15.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.698 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -137.17 37.6 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -92.24 -49.16 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 57.5 31.89 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.221 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -177.31 -171.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.42 62.54 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.1 p -161.0 -42.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 66.13 -73.38 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 56.95 25.28 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.83 32.04 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.552 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 3.1 p-90 -127.95 -28.8 2.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.343 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 60' ' ' TRP . . . 77.16 109.92 0.07 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.0 111.363 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.48 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 0.5 OUTLIER -99.33 51.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.889 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 2.6 m-85 -102.56 -49.98 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.237 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.6 m -159.06 26.6 0.21 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.015 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.68 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . . . 47.0 32.59 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.16 -26.99 7.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -61.92 -52.39 64.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.832 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.52 -44.92 66.03 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.552 0.691 . . . . 0.0 109.531 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.68 ' NH1' ' HB3' ' A' ' 65' ' ' ALA . 10.4 mpt_? -53.63 -46.86 70.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.397 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.446 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 50.3 ttm -69.6 -32.47 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.924 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.11 -50.38 39.67 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.8 -57.05 12.22 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 70' ' ' MET . . . -36.87 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.421 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.1 -24.27 8.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.833 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.48 ' C ' ' HG1' ' A' ' 76' ' ' THR . 47.9 t -84.35 -54.46 4.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.729 0.299 . . . . 0.0 110.732 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.48 ' HG1' ' C ' ' A' ' 75' ' ' SER . 82.5 p 53.43 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.568 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 75' ' ' SER . 60.7 mt 59.83 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.586 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -96.65 -14.51 22.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -133.6 75.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.863 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.423 ' HA ' ' HB ' ' A' ' 76' ' ' THR . 81.0 p -90.19 -21.52 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.445 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.7 p80 177.59 -49.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 41.79 30.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.583 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 78.9 mt-30 -90.17 -46.28 0.4 Allowed Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 83' ' ' GLN . 84.5 Cg_endo -81.08 -19.91 7.79 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.266 1.977 . . . . 0.0 113.152 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 49.3 m-85 -111.97 -34.29 6.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 43.3 31.22 0.37 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.341 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.539 ' N ' ' HD2' ' A' ' 88' ' ' PRO . 17.5 m-30 -63.28 -49.23 80.58 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.461 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 87' ' ' PHE . 59.9 Cg_endo -72.71 -167.79 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.23 1.953 . . . . 0.0 112.507 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.84 39.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.712 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -121.6 80.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -177.21 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.083 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -55.9 -64.06 0.98 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 97' ' ' VAL . 22.5 p30 -63.11 -28.56 70.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.742 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.93 90.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -79.53 -37.68 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.987 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.67 -1.53 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 93' ' ' ASN . 65.8 t -123.59 -40.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 110.989 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.46 66.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.98 57.63 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.57 -29.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.429 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 79.2 t60 -85.53 16.19 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.047 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 49.5 mt-10 -114.18 -7.12 13.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.966 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 74.0 mt 73.82 -58.75 0.58 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 21.7 pt20 44.33 89.94 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.24 0 CA-C-O 120.858 0.361 . . . . 0.0 111.481 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.42 -25.08 13.27 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.609 2.206 . . . . 0.0 112.593 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 106' ' ' LEU . 1.6 pt? -141.3 139.77 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.502 ' C ' HD12 ' A' ' 108' ' ' ILE . . . -98.6 18.59 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 108' ' ' ILE . 2.5 mp 66.39 29.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.348 0.594 . . . . 0.0 110.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -152.1 45.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.031 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.44 -44.96 80.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.769 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 10.8 mm100 -75.03 -45.08 44.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.769 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.6 OUTLIER 107.59 -50.4 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 110.848 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.563 ' HD2' ' C ' ' A' ' 111' ' ' GLN . 67.9 Cg_endo -86.13 82.42 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.628 2.219 . . . . 0.0 111.949 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 115' ' ' SER . 48.3 t -78.02 44.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 114' ' ' SER . 30.2 m 76.28 45.56 0.11 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.146 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 54.1 mtp85 -129.02 -118.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.87 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 116' ' ' ARG . . . 73.91 -2.22 2.84 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.525 0.202 . . . . 0.0 111.13 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.5 t -130.96 42.47 3.23 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.0 0.429 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 t -72.4 -8.37 54.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.695 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.561 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 75.1 mtt-85 -88.37 -42.4 12.21 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.033 0.444 . . . . 0.0 110.558 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.623 ' HB3' ' CD1' ' A' ' 130' ' ' LEU . . . 79.33 -59.53 0.37 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.108 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.4 t -171.98 29.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t 49.34 43.19 23.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -109.46 86.55 4.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -78.1 137.77 15.69 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.637 2.225 . . . . 0.0 112.326 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.633 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 12.6 tpt180 -169.86 -50.87 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.281 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 8.4 Cg_endo -90.63 -70.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.137 2.558 . . . . 0.0 112.043 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 64.6 t0 -156.43 35.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.026 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 129' ' ' ASP . 8.9 t70 74.3 26.77 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.623 ' CD1' ' HB3' ' A' ' 121' ' ' ALA . 80.1 mt 63.74 1.5 1.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.743 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 128' ' ' ASP . 12.5 pt-20 -100.69 25.68 7.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.252 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.914 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 -166.61 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.607 2.205 . . . . 0.0 112.206 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 3' ' ' LEU . 5.2 tt 63.87 100.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.79 -28.1 0.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.419 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -144.2 77.54 14.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -86.53 24.73 0.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.881 2.387 . . . . 0.0 112.862 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.5 t -100.44 -16.97 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 64.17 62.15 0.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -46.27 95.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.283 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -80.68 -50.18 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.46 60.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.7 m -109.75 95.76 21.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.65 0.262 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.84 -52.45 8.61 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.579 2.186 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -162.75 80.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' O ' ' CE2' ' A' ' 17' ' ' TYR . 8.7 t80 -172.03 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . 37.48 86.99 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CE2' ' O ' ' A' ' 15' ' ' TYR . 43.1 m-85 -150.43 9.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.455 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE2' ' CA ' ' A' ' 20' ' ' GLY . 1.9 p90 -49.36 -24.36 1.87 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.174 0.512 . . . . 0.0 110.129 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.8 m120 68.25 34.9 3.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.583 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' CA ' ' CE2' ' A' ' 18' ' ' PHE . . . -122.28 41.83 1.76 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.507 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.43 ' HB2' ' HG3' ' A' ' 24' ' ' PRO . 65.5 m -100.24 136.75 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.6 t -52.86 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -142.54 69.24 20.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.43 ' HG3' ' HB2' ' A' ' 21' ' ' CYS . 45.5 Cg_endo -66.63 -17.28 52.62 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.8 m -75.59 72.39 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.041 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -49.41 -48.49 74.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.537 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 37.3 Cg_exo -57.63 -155.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.6 pt? -133.25 -44.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -93.54 110.26 45.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.72 -22.65 29.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.505 2.137 . . . . 0.0 112.643 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.6 161.11 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.458 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 80.0 p -94.96 94.71 1.31 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HG2' ' HD3' ' A' ' 34' ' ' PRO . 1.5 Cg_endo -46.83 -58.35 1.77 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.278 1.985 . . . . 0.0 112.439 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD3' ' HG2' ' A' ' 33' ' ' PRO . 60.2 Cg_endo -71.55 61.91 2.86 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.362 2.041 . . . . 0.0 112.116 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.55 -57.55 19.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.721 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 59.78 31.71 20.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -97.55 25.51 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.2 tp -98.57 -30.72 12.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.82 HG12 ' CG ' ' A' ' 43' ' ' ARG . 26.9 m -122.94 27.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.373 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 40' ' ' THR . 67.4 m -86.22 57.96 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.43 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.41 -17.69 50.2 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.222 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.32 -35.69 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.695 0.283 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.82 ' CG ' HG12 ' A' ' 39' ' ' VAL . 20.5 mmt85 -68.66 124.29 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.055 0.455 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 20.4 p30 163.62 -37.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.205 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' SER . 20.6 p30 -114.94 -43.16 3.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.7 t 68.1 32.97 4.68 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.519 0.676 . . . . 0.0 109.426 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 48' ' ' CYS . 26.6 t -97.07 -172.07 2.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.068 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.436 ' N ' ' OG ' ' A' ' 47' ' ' SER . 53.9 t -179.57 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 50.5 mmt-85 -59.49 -26.82 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.982 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.45 -30.28 70.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ARG . 47.6 m-85 61.96 106.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.6 -39.02 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 50.19 40.61 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.3 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -148.27 60.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.33 78.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -105.68 -23.81 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 64.83 -77.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.21 26.16 6.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -131.95 42.05 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -113.57 -39.19 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.771 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.79 -32.4 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.506 ' C ' ' HD1' ' A' ' 63' ' ' TYR . 5.3 m120 60.09 19.21 8.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.041 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HD1' ' C ' ' A' ' 62' ' ' ASN . 5.6 m-85 67.99 -48.28 0.53 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.79 0.329 . . . . 0.0 111.212 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m 66.69 31.16 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' HB1' ' HG3' ' A' ' 67' ' ' GLN . . . -145.71 -53.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.852 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 70' ' ' MET . 95.0 mt-10 58.43 19.49 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.458 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 86.3 mt-30 -59.04 -50.34 74.45 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.761 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -54.08 -42.4 69.29 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.432 0.634 . . . . 0.0 109.368 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.16 -47.54 85.71 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.7 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.571 ' HE2' ' HA ' ' A' ' 70' ' ' MET . 11.9 mmt -61.93 -31.56 71.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.194 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.63 -48.59 83.52 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.12 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.416 0.627 . . . . 0.0 109.58 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 -40.42 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.597 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.4 -36.01 50.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 t -67.98 -35.93 79.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.1 p 49.3 41.53 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.424 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mm -55.68 96.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.962 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -165.62 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.488 ' O ' ' ND2' ' A' ' 79' ' ' ASN . 0.5 OUTLIER -77.87 56.8 1.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.448 -179.798 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -144.65 -43.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.925 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.614 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.3 p80 -163.3 -117.38 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 83.78 36.93 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.481 0.658 . . . . 0.0 109.377 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.638 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 78.1 mt-30 -94.61 -50.48 0.25 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.123 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.638 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 64.8 Cg_endo -90.55 15.39 1.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.657 2.238 . . . . 0.0 112.087 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.525 ' HB3' ' CD2' ' A' ' 87' ' ' PHE . 15.1 m-85 85.49 -15.52 0.51 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.668 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 10.0 t70 59.32 34.94 23.1 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.407 0.622 . . . . 0.0 109.822 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.525 ' CD2' ' HB3' ' A' ' 85' ' ' PHE . 14.6 m-85 -129.9 71.4 82.18 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.037 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.2 -65.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.565 2.177 . . . . 0.0 112.117 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -110.85 29.04 8.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -109.86 110.48 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 92' ' ' GLN . 14.7 p30 -121.84 -42.52 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.553 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 78.6 mt-30 -67.07 -56.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.031 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.412 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 23.4 p30 -67.51 -18.28 64.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.51 -20.56 20.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.0 pttt -90.21 -42.77 10.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.636 0.255 . . . . 0.0 111.448 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 93' ' ' ASN . 65.1 pttt -74.68 -0.58 18.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.7 t -116.36 -25.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.659 0.266 . . . . 0.0 111.335 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.48 5.08 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.687 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.82 46.4 1.36 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.467 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.95 -28.33 0.73 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.777 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.88 -2.13 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.585 0.231 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 47.2 mt-10 -81.36 -28.2 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.593 HD13 ' C ' ' A' ' 103' ' ' LEU . 2.5 tm? 74.8 -56.83 0.62 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.502 ' CG ' ' HB2' ' A' ' 107' ' ' ALA . 11.8 tp-100 -149.39 100.83 3.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.695 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 106' ' ' LEU . 87.8 Cg_exo -43.03 -48.39 7.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.718 2.279 . . . . 0.0 112.73 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 105' ' ' PRO . 1.5 pt? -161.23 -41.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.268 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 106' ' ' LEU . . . 78.59 -5.62 2.02 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 108' ' ' ILE . 33.9 mm 70.86 20.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-O 121.061 0.458 . . . . 0.0 110.994 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 109' ' ' VAL . 44.0 t -154.77 50.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.853 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.76 -34.52 30.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.732 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 73.7 mt-30 -57.41 -46.87 83.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 33.5 mmt180 108.05 -50.09 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.648 0 C-N-CA 124.064 0.946 . . . . 0.0 111.505 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 51.9 Cg_exo -53.17 -65.01 0.15 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.106 1.87 . . . . 0.0 112.289 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t 62.99 9.22 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.9 t -155.13 -45.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.771 0.32 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.536 ' N ' ' HD3' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -91.43 -167.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.595 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 116' ' ' ARG . . . 75.79 5.62 3.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.327 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -177.85 35.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.2 t -83.49 5.24 24.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.702 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -107.18 -26.02 11.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.74 0.305 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.3 -60.71 2.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.525 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.0 t 63.3 32.55 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.2 p 50.63 26.78 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.411 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -156.9 125.56 2.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 129' ' ' ASP . 13.9 Cg_endo -56.1 -81.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.544 2.163 . . . . 0.0 112.372 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.551 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 82.3 mtm180 -158.94 -49.13 0.01 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.551 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 4.4 Cg_exo -78.27 70.22 7.27 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.753 2.302 . . . . 0.0 112.567 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 48.22 30.93 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 131' ' ' GLU . 38.6 t70 59.84 27.36 16.67 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 132' ' ' ILE . 86.2 mt 62.81 -66.34 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.127 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 129' ' ' ASP . 11.8 pt-20 44.33 13.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 130' ' ' LEU . 55.1 mt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.96 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -167.74 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.579 2.186 . . . . 0.0 112.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt 61.04 31.39 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.93 -44.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -139.76 56.72 8.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.43 5.03 6.36 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.705 2.27 . . . . 0.0 112.886 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -102.54 11.93 37.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 64.26 -75.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -147.6 131.88 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.6 m -73.41 -58.36 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.05 63.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -118.09 80.45 15.23 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.751 0.31 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.13 -63.82 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.686 2.257 . . . . 0.0 112.554 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -155.13 97.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -176.93 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -65.4 103.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 57.7 m-85 -156.08 13.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.443 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -50.82 -25.67 4.76 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 33.2 m120 70.54 -68.11 0.22 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.152 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.85 -44.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -150.98 55.03 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.207 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.6 m 68.12 -62.88 0.35 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.6 m -42.94 105.03 0.4 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.609 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.69 63.32 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.661 2.241 . . . . 0.0 112.015 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -92.66 -32.88 14.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.89 57.7 9.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.31 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.596 ' C ' HD22 ' A' ' 28' ' ' LEU . 48.1 Cg_endo -68.87 170.73 14.84 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.521 2.147 . . . . 0.0 112.262 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -117.34 -61.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.488 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 35.3 t 176.75 -55.68 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.488 ' HD3' ' HB3' ' A' ' 29' ' ' SER . 48.4 Cg_endo -68.05 0.46 4.43 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.077 1.851 . . . . 0.0 112.518 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.3 ttp -112.14 117.32 32.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -147.97 87.65 5.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 51.0 Cg_exo -53.6 172.03 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.509 2.14 . . . . 0.0 111.846 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 33' ' ' PRO . 10.9 Cg_endo -53.13 86.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.82 33.56 4.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.451 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -128.2 142.27 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -170.71 -38.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.756 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.788 ' HG ' HG23 ' A' ' 39' ' ' VAL . 59.1 tp 62.92 147.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.788 HG23 ' HG ' ' A' ' 38' ' ' LEU . 45.4 t 64.71 52.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 40' ' ' THR . 57.2 m -150.25 40.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.689 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 10.8 23.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.688 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.84 6.21 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.682 0.277 . . . . 0.0 111.182 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 63.66 14.35 8.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.692 ' OD1' HG22 ' A' ' 39' ' ' VAL . 16.6 m-80 69.0 -65.58 0.28 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.161 0.505 . . . . 0.0 110.808 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -47.39 -63.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.531 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 47' ' ' SER . 79.5 p 179.72 -30.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 46' ' ' SER . 90.6 p 55.2 104.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.081 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.88 62.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 27.7 mmm180 -150.2 -44.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.9 m-20 83.07 -42.09 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.689 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 49' ' ' ARG . 7.1 m-85 65.03 -75.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -169.32 -45.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 60.31 27.76 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -113.79 -174.95 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.652 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.0 66.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.179 0.514 . . . . 0.0 110.665 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -131.68 -39.8 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.31 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 44.83 69.56 0.42 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.005 0.431 . . . . 0.0 111.325 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -132.15 29.27 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.747 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -121.22 21.61 11.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.422 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 6.5 p-90 -128.75 -51.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 60' ' ' TRP . . . 177.25 71.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.442 0.639 . . . . 0.0 110.469 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -59.05 -151.94 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.111 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -129.33 16.21 6.07 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 109.46 -179.511 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.2 p 53.94 36.75 25.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.133 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 53.43 61.07 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.279 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.74 -35.64 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.537 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 99.1 mm-40 -63.72 -48.24 77.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -56.96 -39.37 74.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.469 0.652 . . . . 0.0 109.687 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 9.9 mtp-105 -59.56 -45.87 90.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.643 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.537 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.7 ptm -74.13 -28.44 61.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.7 89.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -72.56 -64.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.98 -39.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.532 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -33.8 22.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ILE . 47.3 t -62.71 -28.66 70.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.604 0.24 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 77' ' ' ILE . 44.0 p 56.57 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.394 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 49.9 mm 67.2 95.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.7 t -153.62 -43.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 80' ' ' SER . 26.8 t-20 -115.59 -55.64 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.723 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 46.1 m 71.28 37.85 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.774 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 10.1 p80 -71.25 -45.53 63.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.163 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 44.52 27.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.557 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.546 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 69.5 mt-30 -89.29 -48.18 0.41 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 9.3 Cg_endo -88.62 -13.05 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.915 2.41 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 5.0 m-30 87.52 -14.52 0.43 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.021 0.529 . . . . 0.0 111.017 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 43.88 28.15 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.09 0.471 . . . . 0.0 111.59 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' N ' ' HD2' ' A' ' 88' ' ' PRO . 15.3 m-30 -67.29 -48.84 46.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.118 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 87' ' ' PHE . 90.3 Cg_endo -79.63 -174.88 2.45 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.346 2.031 . . . . 0.0 112.347 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 47.61 27.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.375 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -157.34 77.12 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -176.19 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.5 mt-30 -66.95 -55.72 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 23.6 p30 -66.75 -14.4 62.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.74 -21.42 16.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 20.5 pttp -88.69 -41.38 12.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.632 0.254 . . . . 0.0 111.264 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 93' ' ' ASN . 65.1 pttt -76.22 0.68 18.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.621 0.248 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.74 -37.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.59 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.26 57.94 3.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.32 -33.68 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.163 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.452 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 37.1 t-80 -71.01 -12.64 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.844 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 -37.79 16.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.236 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.0 mt 53.59 79.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.881 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -153.58 136.73 10.0 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.76 -43.35 38.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.493 2.128 . . . . 0.0 112.437 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 106' ' ' LEU . 5.2 mp -75.77 -73.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 106' ' ' LEU . . . 69.5 9.71 7.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.668 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 108' ' ' ILE . 33.9 mm 69.9 19.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.046 0.45 . . . . 0.0 111.082 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.561 ' O ' ' N ' ' A' ' 111' ' ' GLN . 34.5 m -135.13 -26.6 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.285 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.32 -49.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.753 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 98.9 mm-40 -112.14 -31.87 6.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.753 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.9 OUTLIER 102.54 -60.63 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.754 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 -178.628 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 91.0 Cg_exo -47.25 -60.23 0.96 Allowed 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.315 2.01 . . . . 0.0 112.625 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 21.2 m 81.53 -21.57 0.31 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.654 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -113.0 -3.73 13.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 64.41 109.96 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.701 0.763 . . . . 0.0 111.482 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -124.85 3.04 8.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.287 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.6 t -133.88 47.51 2.43 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.2 t -77.61 -3.25 39.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.741 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.571 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 75.8 mtp180 -109.78 -27.25 9.4 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 120' ' ' ARG . . . 79.06 -55.54 0.44 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.6 t -61.24 -45.66 93.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.9 t 61.45 33.56 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 89.26 23.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 130' ' ' LEU . 93.3 Cg_exo -45.23 -63.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.749 2.299 . . . . 0.0 112.553 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.637 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 79.8 ttt180 -170.37 -51.5 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.686 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 2.1 Cg_endo -87.89 44.1 0.94 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.018 2.478 . . . . 0.0 112.466 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.2 t0 55.56 53.57 9.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.999 0.428 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 68.06 34.96 3.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.488 0.661 . . . . 0.0 110.708 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 130' ' ' LEU . 2.3 mp 48.48 23.7 0.64 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.8 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 132' ' ' ILE . 12.2 pt-20 -63.45 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.799 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.58 ' C ' HD12 ' A' ' 132' ' ' ILE . 2.2 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.329 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.35 56.42 5.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.644 2.229 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 3' ' ' LEU . 4.0 mp 53.11 88.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.25 -58.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.595 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -112.6 83.18 5.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.726 0.298 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.52 11.73 3.2 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.724 2.283 . . . . 0.0 112.975 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m -81.93 -23.75 35.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.875 0.369 . . . . 0.0 110.621 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 2.5 mmmp? 59.85 29.54 19.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.796 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 64.46 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.406 ' O ' ' CE1' ' A' ' 15' ' ' TYR . . . -154.52 29.77 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 m 60.86 102.29 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.528 0.204 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.87 -63.15 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.595 2.197 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.784 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.4 m-85 -56.64 119.7 6.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.363 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.22 29.36 7.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 56.51 20.23 4.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.41 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.31 -23.9 17.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.009 0.433 . . . . 0.0 110.213 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 67.3 -70.72 0.11 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.107 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.01 -50.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' SER . 91.0 m -151.33 -58.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.348 . . . . 0.0 111.433 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 73.9 m 68.59 28.53 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.764 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' THR . 35.0 t -99.93 112.1 63.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.45 65.74 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.528 2.152 . . . . 0.0 112.015 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' SER . 92.7 m -90.06 -52.68 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . 177.12 -52.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 22.5 Cg_exo -64.5 -158.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.555 2.17 . . . . 0.0 112.147 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 27' ' ' PRO . 91.9 mt -147.02 -47.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -87.91 140.75 31.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.39 -9.88 16.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.315 2.01 . . . . 0.0 111.583 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.4 ttp -44.89 157.38 0.07 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.4 m -112.94 93.05 22.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 39.5 Cg_exo -55.68 -47.23 26.48 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.44 2.093 . . . . 0.0 112.431 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 86.4 Cg_endo -81.66 65.26 8.63 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.66 58.09 5.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.615 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.26 32.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -96.16 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.791 ' H ' HD23 ' A' ' 38' ' ' LEU . 1.8 pt? -129.51 -23.86 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.387 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.701 HG13 ' HG2' ' A' ' 43' ' ' ARG . 22.0 t -98.16 40.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.153 0.501 . . . . 0.0 110.598 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 p -135.84 69.88 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.972 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.69 -32.21 5.09 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -93.09 -84.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.104 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.701 ' HG2' HG13 ' A' ' 39' ' ' VAL . 99.3 mtt180 64.02 7.22 3.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 43' ' ' ARG . 5.6 p30 158.85 -102.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.542 0.337 . . . . 0.0 110.819 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 46' ' ' SER . 23.5 p30 -105.79 -10.72 16.56 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 122.319 -0.238 . . . . 0.0 111.34 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 19.7 m 85.84 -46.29 0.06 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 122.917 0.487 . . . . 0.0 110.763 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.5 p 53.16 47.49 24.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.194 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.3 t -97.36 24.46 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' N ' ' HD2' ' A' ' 49' ' ' ARG . 8.8 mpt_? -100.86 24.08 9.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.983 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -102.72 -40.41 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.782 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 63.36 -77.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -156.03 -46.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 pttt 43.59 51.51 6.33 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.455 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -163.03 47.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.54 86.35 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -150.85 -43.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 65.73 76.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -115.74 13.87 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 23.2 p30 -117.4 34.37 5.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -104.32 -41.23 5.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.122 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.53 16.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -98.9 -6.31 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.594 0.235 . . . . 0.0 111.271 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 55.23 31.66 16.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.7 p -90.47 -29.05 18.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' ' HG2' ' A' ' 67' ' ' GLN . . . -103.43 -43.24 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 62.03 20.8 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.568 ' HG2' ' HB1' ' A' ' 65' ' ' ALA . 99.1 mm-40 -68.64 -59.86 2.82 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.806 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -51.6 -39.15 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.489 0.661 . . . . 0.0 109.68 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -45.63 90.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.641 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.531 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 20.6 ptp -75.43 -25.72 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.924 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.37 -44.99 97.34 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -72.85 -64.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.33 -32.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.654 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.53 -31.39 10.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.696 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' ILE . 92.5 p -74.11 -14.42 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.899 -0.177 . . . . 0.0 111.312 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.429 HG21 ' NZ ' ' A' ' 96' ' ' LYS . 65.5 p 54.59 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 111.53 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' SER . 49.5 mm 64.81 98.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -106.93 -29.57 9.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 80' ' ' SER . 18.7 t-20 -127.25 -42.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.746 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 79' ' ' ASN . 33.4 t 76.01 68.67 0.07 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -117.23 21.75 12.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.726 ' HB1' ' HA ' ' A' ' 86' ' ' ASP . . . -70.13 61.87 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.227 0.537 . . . . 0.0 111.294 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.606 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 83.5 mt-30 -118.35 -49.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.898 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 16.8 Cg_exo -68.32 -28.48 33.18 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.395 2.064 . . . . 0.0 112.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 84' ' ' PRO . 38.5 m-85 -135.92 -41.99 0.67 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.844 0.354 . . . . 0.0 111.098 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.726 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 9.8 t70 51.2 53.56 12.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.03 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -124.62 72.34 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.949 -179.119 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.19 169.27 0.71 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 111.984 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.487 ' HA ' ' HB2' ' A' ' 93' ' ' ASN . 1.5 m-20 60.6 67.45 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.546 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -108.04 -79.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.42 ' ND2' ' HG3' ' A' ' 92' ' ' GLN . 7.7 p-10 -113.7 -62.15 1.64 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.683 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.6 mt-30 -68.54 -49.72 57.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.598 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 89' ' ' ASP . 72.8 m-20 -67.63 -29.99 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.715 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -75.46 -32.05 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.452 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -78.71 -40.66 33.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.618 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.9 pttt -87.42 19.62 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.445 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -142.42 -35.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.118 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -86.95 -27.7 23.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.95 60.33 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.65 -22.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.652 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -67.05 -10.05 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HB2' HD23 ' A' ' 103' ' ' LEU . 55.5 mt-10 -58.31 -38.78 77.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.941 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.65 ' N ' HD23 ' A' ' 103' ' ' LEU . 1.4 pt? -176.88 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.392 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 103' ' ' LEU . 41.3 tt0 -139.56 102.38 7.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.926 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.38 -10.7 27.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.558 2.172 . . . . 0.0 112.779 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.56 HD13 ' C ' ' A' ' 106' ' ' LEU . 2.2 tm? -55.61 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 110.539 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.83 ' C ' HD12 ' A' ' 108' ' ' ILE . . . 78.02 -57.85 0.47 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.539 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.83 HD12 ' C ' ' A' ' 107' ' ' ALA . 4.6 mp -153.39 -53.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.816 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 109' ' ' VAL . 22.6 m -159.35 104.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.733 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -68.11 -39.02 82.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.46 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.741 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 51.8 mm-40 -114.53 -34.96 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.469 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.741 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.6 OUTLIER 101.14 -60.47 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.558 ' HD2' ' C ' ' A' ' 111' ' ' GLN . 95.7 Cg_exo -45.52 -60.79 0.73 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.196 1.93 . . . . 0.0 112.683 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.3 p 53.15 15.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.425 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 80.1 p -97.93 -28.45 13.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 118' ' ' SER . 47.9 mtp85 -64.17 -20.94 66.35 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.212 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.38 34.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.277 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.51 ' H ' ' C ' ' A' ' 116' ' ' ARG . 89.2 p 54.94 31.96 17.01 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.068 0.461 . . . . 0.0 110.635 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.425 ' HB3' ' HA ' ' A' ' 115' ' ' SER . 41.9 t -67.47 -9.82 45.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.671 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.06 -22.72 52.48 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -46.37 -59.54 2.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.631 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -55.61 -48.84 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.5 t 59.55 84.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -73.93 111.12 11.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.27 97.14 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.406 2.071 . . . . 0.0 112.257 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.644 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 2.5 tpm_? -93.47 -50.92 0.26 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 1.5 Cg_endo -84.7 53.22 3.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.064 2.509 . . . . 0.0 111.89 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 63.3 t0 64.88 32.56 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.42 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 128' ' ' ASP . 38.6 t70 72.42 45.19 0.37 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 130' ' ' LEU . 2.6 mp 42.29 26.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.252 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.574 ' HG3' HG23 ' A' ' 132' ' ' ILE . 12.3 pt-20 -77.63 -18.88 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 131' ' ' GLU . 28.5 pt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.168 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 -173.49 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.271 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.668 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -145.59 123.61 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.76 -48.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -153.71 75.72 6.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.7 5.34 5.68 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.043 2.495 . . . . 0.0 112.772 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.0 m -80.61 -20.49 43.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 111.206 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 59.84 29.74 19.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.932 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 38.14 76.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.799 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.03 -28.75 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.768 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.38 -57.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.437 ' N ' ' HD3' ' A' ' 13' ' ' PRO . 59.4 m -164.92 59.82 0.69 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 12' ' ' SER . 55.5 Cg_exo -52.22 -65.97 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.548 2.166 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -102.7 49.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 59.52 77.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.19 119.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 m-30 67.71 29.4 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 14.9 p90 -64.3 -18.13 64.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.417 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' PHE . 6.1 m120 70.89 -64.51 0.37 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.85 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.25 95.39 0.1 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.5 m -89.53 37.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.516 0.198 . . . . 0.0 111.378 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.1 m 61.65 -81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.1 m -52.8 105.93 0.59 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.53 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.09 -18.61 23.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.015 1.81 . . . . 0.0 110.995 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.51 ' C ' ' HD3' ' A' ' 27' ' ' PRO . 46.7 p -59.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.239 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.579 ' N ' ' HD3' ' A' ' 27' ' ' PRO . . . -121.47 45.7 0.96 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.885 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' A' ' 26' ' ' ALA . 54.1 Cg_exo -51.31 -167.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.383 2.055 . . . . 0.0 112.723 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 27' ' ' PRO . 90.1 mt -136.33 -46.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.737 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -114.91 109.5 47.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.65 -25.57 11.45 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.468 2.112 . . . . 0.0 112.4 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mtm 62.33 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.661 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.584 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 56.5 m 55.78 56.07 9.87 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.357 . . . . 0.0 110.052 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HD3' ' N ' ' A' ' 32' ' ' SER . 22.9 Cg_exo -61.52 -48.1 10.12 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.482 2.121 . . . . 0.0 112.802 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 44.2 Cg_endo -79.86 -76.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.176 1.917 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.78 -58.54 1.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.569 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -112.67 106.23 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' THR . 14.8 ptmm? -168.93 -49.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.852 ' HG ' HG23 ' A' ' 39' ' ' VAL . 61.6 tp 52.42 -86.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.632 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.852 HG23 ' HG ' ' A' ' 38' ' ' LEU . 61.2 t -113.21 -41.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.803 0.335 . . . . 0.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 37' ' ' LYS . 81.5 p 51.2 26.35 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.263 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.28 -77.03 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.568 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.04 99.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.593 ' HA ' HG13 ' A' ' 39' ' ' VAL . 78.2 mtt-85 -61.95 -19.9 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 74.16 4.64 4.59 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.067 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -119.66 -34.02 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.931 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -178.76 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p 51.72 24.96 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -128.39 -21.49 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.375 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -176.99 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.767 0.317 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.1 m120 67.21 -73.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -179.17 35.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.458 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.11 -44.88 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 54.0 29.1 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -147.26 -175.98 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -61.11 -41.26 96.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 43.5 t 69.36 26.06 5.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 56' ' ' SER . 66.3 mm-40 73.61 -100.29 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.206 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 56' ' ' SER . 15.8 mp0 55.34 31.48 16.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.54 43.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.69 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -119.65 -38.72 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.73 0.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.193 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -84.5 63.51 7.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.186 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 63' ' ' TYR . 2.1 m-85 -134.4 -46.05 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.424 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -92.72 25.85 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.22 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.0 20.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.205 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -94.37 -34.75 12.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.508 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 9.6 mm100 -63.37 -48.74 76.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.778 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -55.37 -42.39 73.88 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.654 0.74 . . . . 0.0 109.409 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -56.53 -47.3 79.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.508 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.9 ptm -72.81 -30.26 63.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.37 35.98 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.649 -0.981 . . . . 0.0 110.649 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.94 -62.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.556 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.68 -27.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.484 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.5 -21.94 7.67 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.439 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.5 m -82.81 -48.48 10.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.9 p 52.38 23.38 2.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.452 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm 41.7 88.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 111.819 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 m -130.67 -14.4 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.146 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 80' ' ' SER . 0.9 OUTLIER -178.79 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.504 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 45.9 m 71.09 55.35 0.22 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.621 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.0 p80 -99.96 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.362 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 44.03 27.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.298 . . . . 0.0 111.446 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.576 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 87.0 mt-30 -90.82 -58.78 0.24 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.685 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 69.2 Cg_endo -73.31 -15.28 25.32 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.153 1.902 . . . . 0.0 112.636 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 40.1 m-85 86.38 -13.23 0.56 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.447 0.467 . . . . 0.0 111.192 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p30 44.49 30.42 0.49 Allowed 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 121.181 0.515 . . . . 0.0 111.135 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -107.47 66.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.618 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.55 -29.34 52.7 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.484 2.122 . . . . 0.0 112.331 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.6 44.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.73 43.75 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -146.68 -46.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HA ' ' HE2' ' A' ' 95' ' ' LYS . 85.0 mt-30 -68.53 -41.63 79.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -68.61 -20.47 64.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.53 -37.74 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.342 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 92' ' ' GLN . 62.7 pttt -73.04 -42.96 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.35 -10.41 24.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.44 -29.07 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.724 0.297 . . . . 0.0 111.342 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.73 89.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.52 52.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.325 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.4 -32.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.729 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 28.6 t-80 -63.17 -17.54 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.369 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 43.1 mt-10 -59.52 -41.92 91.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 103' ' ' LEU . 2.3 tm? 77.17 -52.06 0.55 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -157.79 156.22 28.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.784 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.87 -20.95 31.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.698 2.265 . . . . 0.0 112.562 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 106' ' ' LEU . 4.9 mp -78.5 -79.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.517 ' HB3' ' OD1' ' A' ' 110' ' ' ASP . . . 69.67 11.5 7.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.568 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 108' ' ' ILE . 43.9 mt 71.46 37.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 110.55 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 109' ' ' VAL . 45.7 t 66.53 55.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.517 ' OD1' ' HB3' ' A' ' 107' ' ' ALA . 12.3 p-10 -68.42 -31.31 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.746 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.72 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 86.0 mt-30 -66.42 -48.28 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.72 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.8 OUTLIER 103.49 -58.54 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.075 0.95 . . . . 0.0 111.34 -179.226 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 83.5 Cg_exo -47.93 -60.53 0.84 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.238 1.959 . . . . 0.0 112.494 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.8 p 53.19 15.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.101 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 79.9 p -79.7 -27.6 40.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.502 ' C ' ' H ' ' A' ' 118' ' ' SER . 71.8 mtp180 -65.86 -21.01 66.44 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.26 34.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 116' ' ' ARG . 89.6 p 55.38 32.04 18.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 121' ' ' ALA . 47.3 t -83.35 7.22 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.745 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 79.1 mtp180 58.06 -75.53 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.503 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 166.79 -76.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.1 m -82.46 -41.41 19.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.7 t 60.06 43.2 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -77.7 125.25 86.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.8 98.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.439 2.093 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.549 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 38.4 mmt180 -132.75 -50.28 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 1.3 Cg_endo -85.17 -75.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.81 2.34 . . . . 0.0 112.814 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 128' ' ' ASP . 6.8 t70 -97.78 13.99 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 131' ' ' GLU . 38.5 t70 61.72 72.15 0.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.3 mm? -56.43 64.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.117 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.644 ' N ' ' O ' ' A' ' 129' ' ' ASP . 10.3 pt-20 -84.76 29.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.572 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.946 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.2 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.98 0.419 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -130.5 -46.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 26.1 mt-30 -70.44 -71.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -52.49 -21.77 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.52 -26.65 20.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.886 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.4 pttt -85.49 -37.99 19.09 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.413 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 1.1 mptm? -57.9 -16.86 13.41 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.749 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 101' ' ' HIS . 48.8 t -106.61 -30.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.73 68.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.67 57.02 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.419 ' HB2' HG12 ' A' ' 97' ' ' VAL . 78.4 t60 -77.65 -0.08 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.326 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 110.644 179.846 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.336 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.536 ' ND2' ' HG2' ' A' ' 92' ' ' GLN . 11.5 p-10 -178.51 -121.53 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 14.7 pt20 -49.35 -33.32 13.18 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.099 0.476 . . . . 0.0 111.143 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.507 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 74.8 m-20 -68.77 -26.37 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.44 22.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.59 ' HG2' ' HA ' ' A' ' 92' ' ' GLN . 62.2 pttt -75.98 -43.74 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.444 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 20.6 pttp -63.67 -10.47 19.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.681 0.277 . . . . 0.0 111.24 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -109.63 -51.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 0.0 110.461 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 101' ' ' HIS . . . -52.13 -40.87 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.15 59.77 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.95 -24.57 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 98' ' ' ALA . 8.0 p-80 -64.94 -14.06 58.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 111.183 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.465 -179.726 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.003 0.43 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -111.51 -38.21 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.448 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.2 mt-30 -65.52 -54.2 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -67.76 -13.5 62.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.173 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 97' ' ' VAL . . . -96.52 -22.16 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.597 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 92' ' ' GLN . 20.3 pttp -89.93 -41.51 11.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -55.37 -17.83 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 94' ' ' ALA . 12.6 p -57.66 -29.8 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.896 0.379 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' A' ' 102' ' ' GLU . . . -113.78 -44.96 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.95 58.31 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.0 -43.69 0.63 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.347 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.09 31.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 5.5 mm-40 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.761 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.865 0.364 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -157.63 -47.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 73.3 mt-30 -59.5 -53.83 53.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.385 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.315 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -52.34 65.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.662 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.6 -15.52 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.353 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.662 ' N ' ' HD3' ' A' ' 95' ' ' LYS . 23.2 tptp -65.07 -16.91 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.645 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 97' ' ' VAL . 44.1 t -129.87 2.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.281 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.08 -28.88 66.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.7 55.56 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.85 -27.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.424 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 78.9 t60 -86.85 13.62 8.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.841 179.871 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -149.99 -46.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.0 mt-30 -61.84 -42.76 99.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 97' ' ' VAL . 23.7 p30 -71.22 -23.37 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.769 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -82.01 -33.89 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 20.5 pttp -78.15 -42.95 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -66.78 -7.79 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 93' ' ' ASN . 46.5 t -120.21 -40.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -89.01 -35.42 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.281 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 95' ' ' LYS . . . -81.84 60.22 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.04 -26.79 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.363 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -80.18 -0.95 38.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.553 0.216 . . . . 0.0 111.386 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.709 0.29 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -177.21 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.083 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -55.9 -64.06 0.98 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 97' ' ' VAL . 22.5 p30 -63.11 -28.56 70.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.742 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.93 90.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -79.53 -37.68 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.987 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.67 -1.53 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 93' ' ' ASN . 65.8 t -123.59 -40.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 110.989 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.46 66.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.98 57.63 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.57 -29.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.429 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 79.2 t60 -85.53 16.19 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.047 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 . . . . . 0 C--N 1.331 -0.201 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.966 179.724 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.897 0.38 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 92' ' ' GLN . 14.7 p30 -121.84 -42.52 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.553 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 78.6 mt-30 -67.07 -56.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.031 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.412 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 23.4 p30 -67.51 -18.28 64.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.51 -20.56 20.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.0 pttt -90.21 -42.77 10.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.636 0.255 . . . . 0.0 111.448 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 93' ' ' ASN . 65.1 pttt -74.68 -0.58 18.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.7 t -116.36 -25.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.659 0.266 . . . . 0.0 111.335 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.48 5.08 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.687 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.82 46.4 1.36 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.467 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.95 -28.33 0.73 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.777 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.88 -2.13 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.585 0.231 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 0.0 110.933 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -176.19 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.5 mt-30 -66.95 -55.72 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.416 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 23.6 p30 -66.75 -14.4 62.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.74 -21.42 16.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 20.5 pttp -88.69 -41.38 12.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.632 0.254 . . . . 0.0 111.264 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 93' ' ' ASN . 65.1 pttt -76.22 0.68 18.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.621 0.248 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.74 -37.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.59 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.26 57.94 3.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.32 -33.68 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.163 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.452 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 37.1 t-80 -71.01 -12.64 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.844 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.236 179.556 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.657 0.265 . . . . 0.0 111.389 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.42 ' ND2' ' HG3' ' A' ' 92' ' ' GLN . 7.7 p-10 -113.7 -62.15 1.64 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.683 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.6 mt-30 -68.54 -49.72 57.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.598 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -67.63 -29.99 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.715 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -75.46 -32.05 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.452 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -78.71 -40.66 33.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.618 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.9 pttt -87.42 19.62 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.445 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -142.42 -35.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.118 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -86.95 -27.7 23.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.95 60.33 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.65 -22.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.652 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -67.05 -10.05 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.941 179.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.956 0.408 . . . . 0.0 110.786 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -146.68 -46.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HA ' ' HE2' ' A' ' 95' ' ' LYS . 85.0 mt-30 -68.53 -41.63 79.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -68.61 -20.47 64.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.53 -37.74 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.342 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 92' ' ' GLN . 62.7 pttt -73.04 -42.96 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.35 -10.41 24.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.44 -29.07 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.724 0.297 . . . . 0.0 111.342 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.73 89.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.52 52.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.325 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.4 -32.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.729 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 28.6 t-80 -63.17 -17.54 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.369 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.793 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.41 62.33 2.77 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.58 2.186 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.6 pt? -47.4 126.56 9.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.76 -84.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.523 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.3 p -128.59 81.8 69.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.712 0.292 . . . . 0.0 110.668 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -79.02 49.8 3.28 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.659 2.239 . . . . 0.0 112.652 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.4 t -134.19 3.03 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.462 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 2.6 mppt? 51.89 31.21 8.09 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.832 0.349 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 59.56 24.45 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.6 t 52.44 91.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.98 22.71 8.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.412 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 m 63.76 159.14 0.12 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.729 0.3 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -43.94 -60.47 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.812 2.341 . . . . 0.0 112.807 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -152.55 -62.0 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -124.39 -67.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.775 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -179.6 -34.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.221 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 15.0 m-85 58.82 27.97 16.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.007 0.432 . . . . 0.0 110.995 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.422 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 14.1 p90 -64.38 -16.48 62.36 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.355 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 18' ' ' PHE . 6.2 m120 69.74 -77.05 0.06 Allowed 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.972 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.38 102.8 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.703 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.7 m -101.3 19.58 17.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.645 0.259 . . . . 0.0 111.081 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.4 t 50.19 26.36 2.14 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.719 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.1 m -72.02 112.21 13.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.521 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 26' ' ' ALA . 50.9 Cg_exo -52.97 -19.51 11.53 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.062 1.841 . . . . 0.0 111.13 178.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.2 p -59.13 75.53 0.01 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.197 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -81.52 -51.43 0.86 Allowed Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.242 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.803 ' C ' HD22 ' A' ' 28' ' ' LEU . 37.0 Cg_exo -57.34 -158.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.593 2.195 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.803 HD22 ' C ' ' A' ' 27' ' ' PRO . 2.2 mm? -130.98 -49.85 1.03 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.521 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 48.0 t 179.21 -46.97 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.289 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 29' ' ' SER . 2.9 Cg_exo -76.34 43.5 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.566 2.178 . . . . 0.0 112.201 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 32' ' ' SER . 51.1 ttp -74.68 162.75 28.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.808 0.337 . . . . 0.0 110.814 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.415 ' N ' ' HG2' ' A' ' 31' ' ' MET . 79.8 p -100.3 88.53 0.95 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' CB ' ' HD2' ' A' ' 34' ' ' PRO . 21.3 Cg_endo -60.74 174.84 1.47 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.463 2.109 . . . . 0.0 111.789 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 7.6 Cg_endo -49.76 87.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.749 2.299 . . . . 0.0 112.438 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -98.2 102.99 2.73 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 36' ' ' TYR . 9.0 p90 -113.12 77.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.729 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.56 ' O ' HG23 ' A' ' 40' ' ' THR . 0.0 OUTLIER -178.02 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.807 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.723 ' HG ' HG23 ' A' ' 39' ' ' VAL . 61.3 tp 62.87 -81.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.723 HG23 ' HG ' ' A' ' 38' ' ' LEU . 52.7 t -140.04 -58.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.935 0.398 . . . . 0.0 111.046 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 37' ' ' LYS . 82.5 p 50.89 26.32 2.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.125 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' H ' HG12 ' A' ' 39' ' ' VAL . . . 121.61 -74.78 0.35 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.167 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -74.05 114.18 12.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.979 0.419 . . . . 0.0 110.443 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 98.9 mtt180 -57.62 -15.9 8.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.093 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' CB ' ' O ' ' A' ' 43' ' ' ARG . 19.3 m-80 83.25 -49.12 0.15 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.134 0.493 . . . . 0.0 110.435 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 46' ' ' SER . 12.3 p30 -128.2 5.67 5.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.262 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.482 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 17.7 m 83.0 -16.68 0.56 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.491 0.316 . . . . 0.0 111.061 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.4 p 51.38 71.87 0.41 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.871 0.367 . . . . 0.0 111.324 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.8 m -152.02 -47.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 49' ' ' ARG . 1.1 mpt_? -105.17 66.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.153 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -120.37 -22.7 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.382 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 60.51 101.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.819 0.342 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -104.25 -46.21 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt 42.86 35.72 0.77 Allowed 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.643 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' O ' ' HB3' ' A' ' 55' ' ' ALA . 19.2 pt20 -135.27 -176.76 4.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . 69.3 -66.48 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.519 ' HB3' ' O ' ' A' ' 55' ' ' ALA . 23.1 t 96.85 -59.36 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.273 0.629 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 13.7 pt-20 179.87 87.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.892 0.377 . . . . 0.0 111.602 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -130.39 29.37 4.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.8 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -124.44 23.42 8.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.438 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.52 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 7.6 p-90 -124.33 -28.4 3.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.211 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 60' ' ' TRP . . . 74.84 107.2 0.07 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.909 0.385 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.573 ' C ' ' H ' ' A' ' 64' ' ' SER . 18.8 p30 -82.83 -10.22 58.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 64' ' ' SER . 16.5 m-85 68.5 -27.83 0.15 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.912 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.573 ' H ' ' C ' ' A' ' 62' ' ' ASN . 40.9 m 72.78 42.54 0.48 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.525 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.26 27.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -114.54 -12.43 12.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.351 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -54.79 -44.87 74.16 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -55.27 -43.42 74.7 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 121.403 0.621 . . . . 0.0 109.498 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -62.26 -46.74 87.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.951 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.579 ' HE2' ' HA ' ' A' ' 70' ' ' MET . 9.7 mmt -61.54 -32.74 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.097 179.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.39 -47.57 88.53 Favored Glycine 0 N--CA 1.441 -0.979 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -61.19 -63.29 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.622 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -37.23 -48.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.795 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -80.55 -30.05 41.68 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.531 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.4 t -65.44 -24.51 67.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.0 p -61.58 -33.26 73.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mm 60.1 112.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 t -175.71 -37.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.641 ' OD1' ' HB2' ' A' ' 82' ' ' ALA . 23.8 t-20 -119.34 79.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.858 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.5 p -101.18 48.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 8.7 p80 -178.28 -45.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.241 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.758 ' HB1' ' CG ' ' A' ' 86' ' ' ASP . . . 45.64 27.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.895 0.378 . . . . 0.0 111.372 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.505 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 60.0 mt-30 -91.58 -45.65 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.631 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . 38.1 Cg_exo -61.47 -33.26 88.36 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.541 2.161 . . . . 0.0 112.876 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.631 ' CD1' ' HB2' ' A' ' 84' ' ' PRO . 1.8 p90 -159.18 -63.6 0.08 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.758 ' CG ' ' HB1' ' A' ' 82' ' ' ALA . 61.6 t0 66.02 27.11 10.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' HB2' ' HD3' ' A' ' 88' ' ' PRO . 39.1 m-85 -83.04 -46.52 0.84 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.518 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.529 ' HD3' ' HB2' ' A' ' 87' ' ' PHE . 32.3 Cg_exo -59.33 -33.35 97.7 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.312 2.008 . . . . 0.0 112.127 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -90.98 50.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.74 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -152.07 41.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -130.5 -46.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.813 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.545 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 26.1 mt-30 -70.44 -71.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -52.49 -21.77 4.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.52 -26.65 20.77 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.886 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.4 pttt -85.49 -37.99 19.09 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.899 -0.321 . . . . 0.0 111.413 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HD2' ' HG3' ' A' ' 95' ' ' LYS . 1.1 mptm? -57.9 -16.86 13.41 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.749 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.419 HG12 ' HB2' ' A' ' 101' ' ' HIS . 48.8 t -106.61 -30.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.73 68.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.67 57.02 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.55 -27.23 0.2 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.534 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.419 ' HB2' HG12 ' A' ' 97' ' ' VAL . 78.4 t60 -77.65 -0.08 25.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.533 0.206 . . . . 0.0 111.326 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -80.61 -33.04 36.15 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 110.644 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.613 HD13 ' O ' ' A' ' 103' ' ' LEU . 2.3 tm? -175.82 -48.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.445 ' OE1' HD12 ' A' ' 103' ' ' LEU . 3.1 pm0 -138.58 134.43 17.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.016 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.77 -43.82 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.539 2.159 . . . . 0.0 112.35 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 106' ' ' LEU . 1.9 pp -146.99 167.18 24.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.446 ' C ' HD12 ' A' ' 108' ' ' ILE . . . -167.72 49.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.734 HG22 ' O ' ' A' ' 108' ' ' ILE . 2.0 mp 66.88 27.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.384 0.612 . . . . 0.0 110.031 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 109' ' ' VAL . 10.2 p -146.62 49.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.19 -30.29 69.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.734 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 14.8 mp0 -71.75 -56.86 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.734 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.1 OUTLIER 104.25 -57.55 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.728 0 C-N-CA 124.029 0.932 . . . . 0.0 111.709 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.553 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 81.8 Cg_exo -49.3 -51.48 10.58 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.173 1.916 . . . . 0.0 112.555 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 39.4 t 69.21 -4.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.4 t -100.64 -31.7 11.1 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-O 120.939 0.4 . . . . 0.0 110.613 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.521 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -79.74 -164.82 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.556 179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 66.06 20.73 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 110.816 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 85.2 p 52.67 47.44 24.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.289 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.5 t -77.41 -3.59 41.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.638 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 123' ' ' SER . 76.2 mtp180 -95.55 -19.44 19.8 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.843 0.354 . . . . 0.0 111.182 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . 58.56 69.05 0.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.801 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.0 m 56.88 66.32 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.486 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 120' ' ' ARG . 36.1 t -114.21 29.68 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.1 mtt85 -129.3 133.7 25.43 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.378 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.4 ' CB ' ' HA ' ' A' ' 129' ' ' ASP . 50.0 Cg_endo -67.89 -150.68 0.02 OUTLIER 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.482 2.121 . . . . 0.0 111.293 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.587 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 98.7 mtt180 -148.07 -50.85 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 6.1 Cg_exo -79.36 -31.29 2.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.634 2.222 . . . . 0.0 111.734 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.514 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 32.5 t70 169.19 -37.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.034 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 128' ' ' ASP . 35.8 t70 169.27 44.32 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.99 -1.004 . . . . 0.0 110.194 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 130' ' ' LEU . 4.0 mp 58.79 20.96 8.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.171 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -110.33 29.33 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.475 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.924 -179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -86.78 24.17 0.77 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.913 2.409 . . . . 0.0 112.919 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 3' ' ' LEU . 3.9 mp 61.06 82.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.897 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.22 -43.35 0.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.537 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.7 p -148.12 71.16 11.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -79.9 2.69 8.21 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.682 2.255 . . . . 0.0 112.854 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 9' ' ' ASP . 47.5 t -99.03 7.83 45.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.066 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 3.2 mptp? 65.28 -71.03 0.08 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 7' ' ' SER . 12.2 p-10 -154.39 -45.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.944 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.8 t 65.0 -75.45 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.15 46.93 0.25 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.563 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 15' ' ' TYR . 50.3 m -141.79 126.02 10.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.55 0.214 . . . . 0.0 110.779 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.65 87.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.615 2.21 . . . . 0.0 112.882 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 11.9 mptt 57.25 62.74 2.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.264 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.419 ' HB3' ' CB ' ' A' ' 12' ' ' SER . 45.5 t80 -138.17 74.84 1.49 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -98.61 -79.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.235 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 59.3 m-85 -153.38 41.25 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.12 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 9.5 p90 30.61 74.61 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.84 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -95.73 28.92 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.33 -96.53 0.16 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.398 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -178.4 -42.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.759 0.314 . . . . 0.0 111.006 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.7 t 62.97 26.46 15.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.5 m 56.09 67.76 2.68 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.46 3.45 7.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.682 2.255 . . . . 0.0 112.693 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.1 m -65.6 -38.96 90.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.828 0.347 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.604 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -178.33 -62.13 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.373 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.604 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 8.4 Cg_endo -50.36 151.24 10.01 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.745 2.297 . . . . 0.0 112.475 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.646 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.0 mm? -106.57 -32.46 8.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.77 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.537 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 46.1 t 177.88 -47.18 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.438 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 29' ' ' SER . 23.6 Cg_exo -64.48 -6.35 11.79 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.275 1.983 . . . . 0.0 112.487 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.658 ' HA ' ' HE3' ' A' ' 31' ' ' MET . 2.3 tpt 63.18 96.48 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.773 0.32 . . . . 0.0 110.915 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.4 m -115.69 82.46 10.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.537 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' N ' ' HD2' ' A' ' 34' ' ' PRO . 32.3 Cg_exo -56.36 -47.66 23.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.519 2.146 . . . . 0.0 112.502 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 33' ' ' PRO . 80.0 Cg_endo -79.26 -46.64 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.248 1.966 . . . . 0.0 112.36 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.418 ' O ' ' CD1' ' A' ' 36' ' ' TYR . . . 104.57 15.82 19.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.558 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.418 ' CD1' ' O ' ' A' ' 35' ' ' GLY . 27.7 m-85 -141.64 30.06 1.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.763 0.316 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -135.29 28.07 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.909 ' O ' HD12 ' A' ' 38' ' ' LEU . 2.3 pp -63.52 139.69 58.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 38' ' ' LEU . 44.3 t 81.46 -28.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.78 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 39' ' ' VAL . 86.2 m 66.11 -69.14 0.12 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.81 0.338 . . . . 0.0 111.068 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 39' ' ' VAL . . . 95.86 11.49 54.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.675 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -114.0 -32.06 6.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.769 0.319 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 43' ' ' ARG . 2.8 ptp180 -109.32 -43.12 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -66.72 -65.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 46' ' ' SER . 74.7 m-20 -83.54 -34.02 25.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 19.8 m 87.66 -30.51 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.101 0.561 . . . . 0.0 111.006 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.7 p 51.0 55.08 10.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.903 0.382 . . . . 0.0 111.182 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.2 t -109.84 -20.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' N ' ' HD3' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -164.26 32.88 0.07 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 110.849 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -99.63 39.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 64.14 -77.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -178.52 128.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -116.74 37.07 3.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -79.15 -62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 59.88 40.62 18.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.7 p -171.05 72.62 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 57' ' ' GLU . 10.8 pt-20 -65.46 75.19 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -130.03 32.38 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.772 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -85.25 5.39 30.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.387 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 62' ' ' ASN . 3.5 p-90 -129.99 -39.87 1.37 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.742 0.306 . . . . 0.0 111.024 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.633 ' HB3' ' HG2' ' A' ' 67' ' ' GLN . . . 64.48 127.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.17 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 60' ' ' TRP . 18.9 p30 -109.12 34.45 3.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.037 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -93.94 -44.65 7.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.6 t -169.07 30.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.876 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 50.27 26.37 2.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.411 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.85 -27.18 67.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.633 ' HG2' ' HB3' ' A' ' 61' ' ' ALA . 99.2 mm-40 -60.05 -48.51 81.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.6 -40.78 75.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.338 0.59 . . . . 0.0 109.868 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -59.59 -44.1 93.47 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.756 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.541 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 20.0 ptp -75.65 -27.74 58.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.2 -46.65 93.85 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -74.06 -64.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.346 0.593 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.44 -32.88 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.679 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.53 -29.75 9.78 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 76' ' ' THR . 46.4 t -66.73 -40.95 88.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.684 0.278 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.634 HG22 ' H ' ' A' ' 78' ' ' SER . 52.1 m 69.27 -62.08 0.42 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 77' ' ' ILE . 51.8 mt 84.14 -9.51 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.849 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.634 ' H ' HG22 ' A' ' 76' ' ' THR . 47.9 t -109.09 -25.75 10.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.538 ' O ' ' OG ' ' A' ' 80' ' ' SER . 22.7 t-20 -138.26 -35.86 0.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.204 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.538 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 71.9 p 67.62 53.1 0.73 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.203 0.525 . . . . 0.0 110.46 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.619 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 3.5 p80 -108.55 -133.12 0.33 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.717 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 87.72 49.54 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 109.645 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.631 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 2.4 mm100 -104.75 -50.29 0.12 Allowed Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 114.677 -1.147 . . . . 0.0 111.676 -178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.631 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 79.5 Cg_endo -91.6 8.08 3.19 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.616 2.211 . . . . 0.0 112.543 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 5.4 m-30 87.47 -23.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.04 0.536 . . . . 0.0 110.968 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 37.3 t70 61.6 19.11 10.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.733 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 10.2 m-30 -76.51 -44.05 3.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.263 179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 87' ' ' PHE . 81.8 Cg_exo -46.24 115.84 1.29 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.478 2.119 . . . . 0.0 112.54 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 66.06 36.25 5.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.74 119.86 8.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.506 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.536 ' ND2' ' HG2' ' A' ' 92' ' ' GLN . 11.5 p-10 -178.51 -121.53 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.59 ' HA ' ' HG2' ' A' ' 95' ' ' LYS . 14.7 pt20 -49.35 -33.32 13.18 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.099 0.476 . . . . 0.0 111.143 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.507 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 74.8 m-20 -68.77 -26.37 65.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.113 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.22 -30.44 22.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.42 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.59 ' HG2' ' HA ' ' A' ' 92' ' ' GLN . 62.2 pttt -75.98 -43.74 43.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.444 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' N ' ' HG3' ' A' ' 95' ' ' LYS . 20.6 pttp -63.67 -10.47 19.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.681 0.277 . . . . 0.0 111.24 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 50.0 t -109.63 -51.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 0.0 110.461 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' HA ' ' CE1' ' A' ' 101' ' ' HIS . . . -52.13 -40.87 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.15 59.77 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.95 -24.57 0.25 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.644 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 98' ' ' ALA . 8.0 p-80 -64.94 -14.06 58.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 111.183 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 43.9 mt-10 -70.41 -16.59 62.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.465 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 103' ' ' LEU . 2.5 tm? 76.67 -55.43 0.57 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 21.1 pt20 44.92 86.09 0.15 Allowed Pre-proline 0 N--CA 1.463 0.189 0 CA-C-O 120.944 0.402 . . . . 0.0 111.695 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -73.97 76.72 2.89 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.584 2.19 . . . . 0.0 112.294 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.2 mt 61.52 24.22 14.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.052 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -86.95 -40.4 14.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.2 mt -110.39 -24.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.576 ' O ' HG22 ' A' ' 109' ' ' VAL . 8.8 p -89.58 51.46 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.22 0.533 . . . . 0.0 111.31 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -84.69 55.14 3.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.872 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' C ' ' HD2' ' A' ' 113' ' ' PRO . 73.7 mt-30 59.31 64.47 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.36 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' HB2' ' HD3' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -38.85 -49.8 3.97 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 179.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.511 ' O ' ' HB3' ' A' ' 114' ' ' SER . 74.2 Cg_exo -43.0 -56.13 2.4 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.51 2.14 . . . . 0.0 112.332 178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.511 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 27.4 t 81.37 -18.02 0.52 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.297 -179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.3 p -127.8 22.62 6.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.866 178.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 23.5 tpp180 59.96 -102.31 0.13 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.961 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 116' ' ' ARG . . . 68.47 -4.86 1.03 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.306 -0.246 . . . . 0.0 111.037 -179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.2 p -112.56 37.63 3.0 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.999 0.428 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.4 t -70.82 -6.93 41.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.8 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -57.45 -42.26 82.16 Favored 'General case' 0 C--O 1.23 0.075 0 CA-C-O 120.801 0.334 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 125' ' ' PRO . . . 57.53 71.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.247 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 t 61.24 24.29 14.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 46.9 t 57.27 51.31 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 62.7 mtm-85 60.38 93.28 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.442 ' HG2' ' HD2' ' A' ' 127' ' ' PRO . 28.2 Cg_endo -64.29 -57.59 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.449 2.099 . . . . 0.0 112.268 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.663 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 59.5 ttp85 -177.58 -51.85 0.0 OUTLIER Pre-proline 0 N--CA 1.463 0.211 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.516 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.663 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 24.2 Cg_endo -96.27 65.96 0.16 Allowed 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 123.361 2.707 . . . . 0.0 111.15 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 127' ' ' PRO . 9.9 t0 72.1 -62.08 0.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.419 ' HA ' ' CG ' ' A' ' 125' ' ' PRO . 9.9 p-10 178.97 41.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.341 178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.41 ' HG ' ' HG3' ' A' ' 125' ' ' PRO . 73.8 mt 70.19 7.33 6.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.986 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -90.8 16.68 8.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.561 0.22 . . . . 0.0 111.159 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.46 HG22 ' OXT' ' A' ' 132' ' ' ILE . 56.1 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.289 -0.863 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.38 136.53 55.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.558 2.172 . . . . 0.0 112.27 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 3' ' ' LEU . 4.0 mp -85.86 134.92 33.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.09 -53.38 0.24 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.403 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -130.16 76.69 77.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.468 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.52 56.68 2.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.573 2.182 . . . . 0.0 112.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.4 m -138.6 6.16 2.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.381 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 62.68 -79.91 0.03 OUTLIER 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.66 0.267 . . . . 0.0 110.968 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -151.79 144.03 23.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.1 m -123.2 -43.44 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.61 -65.23 1.68 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.3 m 62.88 144.32 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.87 -69.92 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.676 2.251 . . . . 0.0 112.849 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -91.36 -54.05 4.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.339 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.4 t80 62.69 104.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.317 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 17' ' ' TYR . . . -134.99 26.29 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.635 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.736 ' O ' ' N ' ' A' ' 19' ' ' ASN . 6.1 m-30 83.65 -2.22 1.13 Allowed 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 1.3 p90 -50.18 71.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.104 0 CA-C-O 121.248 0.547 . . . . 0.0 109.728 179.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.736 ' N ' ' O ' ' A' ' 17' ' ' TYR . 48.1 t30 -49.09 -68.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.409 -178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.57 -90.1 0.58 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.549 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.8 m -71.19 131.42 43.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.072 0.463 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.1 m -57.19 -56.14 25.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.048 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.1 m -58.0 109.9 2.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.422 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' ALA . 52.8 Cg_exo -53.9 -20.53 18.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.054 1.836 . . . . 0.0 111.196 178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.2 p -60.58 76.77 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.101 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.793 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -67.13 -57.52 10.85 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 94.5 Cg_exo -41.54 148.13 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.993 2.462 . . . . 0.0 112.931 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.907 HD22 ' N ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -165.2 -32.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.522 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.907 ' N ' HD22 ' A' ' 28' ' ' LEU . 79.6 p -62.55 138.58 96.64 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.733 0.302 . . . . 0.0 111.194 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.37 -7.27 18.59 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.409 2.073 . . . . 0.0 111.737 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 49.7 ttp -43.77 -53.51 5.86 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.321 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.9 p 50.23 82.77 0.23 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.294 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.476 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 32.2 Cg_exo -57.38 -45.09 36.91 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.573 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 84.4 Cg_exo -46.6 -35.27 16.62 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.501 2.134 . . . . 0.0 112.675 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.06 -106.57 0.55 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.679 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 64.5 60.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.283 0.563 . . . . 0.0 109.783 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -149.98 -45.38 0.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.195 -178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.586 HD13 ' HG2' ' A' ' 43' ' ' ARG . 44.6 tp 63.38 56.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.07 0.462 . . . . 0.0 110.651 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.9 p -109.49 -34.37 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.712 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 38.9 p -71.08 -29.54 65.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.081 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.39 18.11 9.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.702 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -153.06 23.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.705 0.288 . . . . 0.0 110.981 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.586 ' HG2' HD13 ' A' ' 38' ' ' LEU . 53.9 mtp85 56.34 21.34 5.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.301 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 68.5 -66.76 0.22 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.125 0.488 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 46' ' ' SER . 9.6 p30 -90.47 -40.42 12.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.251 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.52 ' HB3' ' O ' ' A' ' 45' ' ' ASN . 27.0 t 81.54 32.28 0.12 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.229 0.538 . . . . 0.0 109.835 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 t -46.07 94.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.437 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 p -122.97 37.74 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.752 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' CE1' ' A' ' 51' ' ' TYR . 23.9 mmt180 -115.46 43.12 2.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.924 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -77.85 130.37 36.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' CE1' ' O ' ' A' ' 49' ' ' ARG . 2.6 m-85 -100.89 68.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.025 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -179.83 -43.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.976 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 54.86 24.38 5.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.071 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.23 -175.4 3.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.999 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -159.34 40.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.037 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' ' 55' ' ' ALA . 37.2 t 70.17 30.13 3.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.556 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 59.56 -85.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 47.57 29.07 1.33 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.885 0.374 . . . . 0.0 111.091 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -142.34 38.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.8 p-90 -120.18 -33.2 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -142.81 -78.78 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.4 -59.16 0.45 Allowed 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.579 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.516 ' CD1' ' N ' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -124.27 -68.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.095 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.412 ' HB2' ' HG2' ' A' ' 66' ' ' GLU . 65.8 m -165.71 24.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.856 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.583 ' HB1' HD22 ' A' ' 68' ' ' ASN . . . 47.73 28.47 1.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.508 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 62.9 mm-40 -56.92 -46.04 82.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.398 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -54.14 -47.25 72.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.546 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.583 HD22 ' HB1' ' A' ' 65' ' ' ALA . 75.8 m-80 -52.74 -44.42 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.104 0.478 . . . . 0.0 110.004 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 65' ' ' ALA . 0.3 OUTLIER -61.44 -45.61 93.56 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.999 178.579 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 92.9 mmm -62.33 -33.01 73.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.325 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.09 -48.6 82.04 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -57.74 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.34 0.591 . . . . 0.0 109.629 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.62 -47.4 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.722 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.41 -36.67 84.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.613 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.5 t -73.76 -30.14 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.772 0.32 . . . . 0.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.2 p 53.37 19.06 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.767 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.8 mm 37.36 93.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.832 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.0 t -138.86 16.08 2.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 80' ' ' SER . 19.8 p30 -170.96 -54.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.452 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.501 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 47.0 t 64.71 39.46 6.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.295 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -96.69 32.55 2.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.255 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.98 62.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.061 0.457 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.701 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 89.2 mt-30 -118.94 -59.59 0.03 OUTLIER Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.056 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.701 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 94.1 Cg_endo -80.48 -15.1 11.32 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 121.935 1.757 . . . . 0.0 112.224 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.417 ' CD1' ' HG2' ' A' ' 84' ' ' PRO . 7.7 m-85 -84.62 -35.23 22.83 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.774 0.321 . . . . 0.0 110.28 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 35.84 36.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -106.18 70.76 0.24 Allowed Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.668 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 89' ' ' ASP . 21.9 Cg_endo -60.89 119.55 6.77 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.539 2.159 . . . . 0.0 112.137 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 88' ' ' PRO . 16.8 m-20 71.12 -55.44 0.65 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.991 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.95 43.56 21.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -111.51 -38.21 5.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.448 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.2 mt-30 -65.52 -54.2 31.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -67.76 -13.5 62.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.173 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.617 ' O ' HG12 ' A' ' 97' ' ' VAL . . . -96.52 -22.16 17.26 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.597 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 92' ' ' GLN . 20.3 pttp -89.93 -41.51 11.73 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.756 0.313 . . . . 0.0 111.102 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -55.37 -17.83 5.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.192 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 94' ' ' ALA . 12.6 p -57.66 -29.8 35.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.896 0.379 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' A' ' 102' ' ' GLU . . . -113.78 -44.96 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.656 ' HB1' ' HB3' ' A' ' 105' ' ' PRO . . . -81.95 58.31 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.229 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.0 -43.69 0.63 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.347 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -91.09 31.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.951 0.405 . . . . 0.0 110.527 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 5.5 mm-40 -150.52 -48.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.761 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.481 ' O ' HD23 ' A' ' 103' ' ' LEU . 3.2 tt -179.81 -57.54 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 107' ' ' ALA . 19.5 pt20 -171.71 154.84 3.77 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.825 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.656 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 26.2 Cg_endo -62.56 -54.33 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.54 2.16 . . . . 0.0 112.415 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 86.0 mt -86.03 76.46 9.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.046 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.477 ' O ' ' HB ' ' A' ' 108' ' ' ILE . . . -132.14 86.22 2.31 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.559 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 108' ' ' ILE . 21.0 mt 80.62 29.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.985 0.421 . . . . 0.0 110.716 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.603 HG12 ' CD ' ' A' ' 112' ' ' ARG . 47.1 t -144.5 53.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.01 -46.41 89.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.733 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 14.4 mp0 -90.02 -51.0 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.733 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.7 OUTLIER 106.24 -58.9 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.476 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 -178.125 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.636 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 37.4 Cg_exo -61.42 76.3 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.189 1.926 . . . . 0.0 111.733 178.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 115' ' ' SER . 79.9 p -71.3 41.53 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.659 0.266 . . . . 0.0 110.809 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 113' ' ' PRO . 34.9 p 162.93 -38.95 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 116' ' ' ARG . 0.3 OUTLIER -75.47 -173.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.778 179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 64.99 19.5 11.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.116 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.9 p 50.55 48.52 22.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.97 0.414 . . . . 0.0 111.229 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -68.41 -10.94 58.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.606 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.98 -41.62 13.01 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.974 0.416 . . . . 0.0 110.707 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -46.07 -58.28 3.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.695 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.8 m -52.63 -55.55 21.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.3 p 50.2 76.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -71.14 112.05 12.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.807 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.21 122.65 6.25 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.468 2.112 . . . . 0.0 112.538 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.563 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 80.3 mtt-85 -158.19 -49.13 0.01 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.97 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.563 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 13.6 Cg_exo -71.05 61.02 2.43 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.567 2.178 . . . . 0.0 112.372 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 64.6 t0 55.86 41.79 29.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.7 t0 69.03 37.82 2.12 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.341 0.591 . . . . 0.0 111.243 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.648 HD12 ' N ' ' A' ' 130' ' ' LEU . 2.7 mp 40.46 26.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.453 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.698 ' HG3' HG23 ' A' ' 132' ' ' ILE . 16.0 pt-20 -74.98 -8.65 57.1 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.395 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.716 ' H ' HD13 ' A' ' 132' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.192 -0.909 . . . . 0.0 111.052 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 105.47 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.618 2.212 . . . . 0.0 112.292 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.549 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.6 pt? -47.03 161.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.9 -29.35 9.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.1 p -127.5 67.96 72.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.52 17.27 1.79 Allowed 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.835 2.356 . . . . 0.0 112.983 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 9' ' ' ASP . 52.3 m -113.96 0.15 14.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.174 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 3.0 mppt? 61.95 -77.93 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.801 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 7' ' ' SER . 2.8 p30 -178.37 -36.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.074 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.1 m 61.91 84.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.6 -42.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.52 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.6 m 62.62 147.23 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.682 0.277 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.81 -62.07 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.507 2.138 . . . . 0.0 112.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 14' ' ' LYS . 9.8 tmtt? -168.79 -66.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 16' ' ' ALA . 4.8 t80 -129.15 142.83 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.599 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.457 ' N ' ' CD1' ' A' ' 15' ' ' TYR . . . -175.42 -69.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 63.91 16.52 9.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -50.52 -24.85 3.46 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.837 0.351 . . . . 0.0 110.741 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 69.86 -64.82 0.34 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 170.58 74.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.629 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 75.0 m -112.92 138.64 49.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.989 0.423 . . . . 0.0 110.964 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -70.28 65.65 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.678 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.5 m -155.4 89.9 2.96 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -68.12 61.86 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.587 2.191 . . . . 0.0 111.651 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.0 m -83.3 -55.86 4.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.086 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' N ' ' HD3' ' A' ' 27' ' ' PRO . . . 53.72 62.48 9.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.514 ' O ' HD23 ' A' ' 28' ' ' LEU . 44.8 Cg_exo -56.65 -160.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.602 2.202 . . . . 0.0 112.471 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 27' ' ' PRO . 97.3 mt -157.62 -70.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.555 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.401 ' N ' ' HD3' ' A' ' 30' ' ' PRO . 79.9 p -178.42 60.63 0.14 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.045 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 29' ' ' SER . 65.3 Cg_exo -50.53 -45.0 37.02 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.315 2.01 . . . . 0.0 111.66 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -163.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.702 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.2 m -130.68 82.76 63.81 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.084 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.46 ' CD ' ' HD3' ' A' ' 34' ' ' PRO . 51.0 Cg_exo -52.04 -45.77 36.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.408 2.072 . . . . 0.0 112.491 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' HD3' ' CD ' ' A' ' 33' ' ' PRO . 6.6 Cg_exo -73.05 59.94 3.72 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.565 2.177 . . . . 0.0 112.319 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.97 61.78 2.12 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.58 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -114.87 43.09 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.593 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.65 -49.53 2.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.118 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 39' ' ' VAL . 40.7 tp 57.2 165.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.821 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 39' ' ' VAL . 49.6 t 66.95 59.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.981 0.419 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 40' ' ' THR . 70.0 m -95.25 39.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.63 30.26 12.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.77 32.63 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.79 0.328 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' HD3' HG22 ' A' ' 39' ' ' VAL . 54.4 mtp85 -156.78 36.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.92 -30.58 6.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -87.32 -50.53 6.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.079 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -175.2 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p 52.06 54.2 11.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.246 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.44 ' HB3' ' NH1' ' A' ' 49' ' ' ARG . 82.7 m -80.36 -65.16 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.589 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.44 ' NH1' ' HB3' ' A' ' 48' ' ' CYS . 0.2 OUTLIER -179.04 42.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.67 179.398 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -152.79 83.56 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -99.3 87.26 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 15.5 p-10 -121.03 -35.24 3.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt 44.47 30.8 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.29 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 52' ' ' ASN . 97.9 mm-40 -93.2 -170.79 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.802 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -169.38 78.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.1 t -121.41 -57.97 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.985 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 13.4 pt-20 -169.27 -170.97 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.907 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 57' ' ' GLU . 88.7 mm-40 79.78 26.78 0.36 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.513 -179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -123.89 26.3 7.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 8.6 p-90 -129.52 -49.91 1.17 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 60' ' ' TRP . . . 177.17 69.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.157 -179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -84.21 51.46 2.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -89.39 -50.94 5.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.57 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.4 t -168.56 30.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 47.03 49.5 14.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.362 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -74.87 -32.7 61.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.189 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.75 -40.62 97.81 Favored 'General case' 0 CA--C 1.515 -0.389 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -54.24 -46.47 72.6 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-O 121.739 0.78 . . . . 0.0 109.13 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -57.31 -52.53 64.95 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.863 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 94.3 mmm -55.97 -37.52 69.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.301 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.03 -52.2 50.63 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.429 ' O ' HG23 ' A' ' 76' ' ' THR . 69.8 mt-30 -60.65 -61.84 2.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.534 0.683 . . . . 0.0 109.61 177.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.41 -27.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.315 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.44 -15.62 18.65 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.543 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.1 m -83.56 -21.69 32.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.692 0.282 . . . . 0.0 111.316 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 72' ' ' GLN . 66.6 p -55.85 -39.74 71.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mm 50.57 93.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.391 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.1 p -127.8 -6.52 5.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.289 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.466 ' O ' ' OG ' ' A' ' 80' ' ' SER . 47.3 t30 178.93 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.466 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 58.0 p 71.88 67.44 0.14 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 83' ' ' GLN . 7.1 p80 -113.13 -139.16 0.38 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.372 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.71 29.08 0.26 Allowed 'General case' 0 C--O 1.231 0.083 0 O-C-N 122.084 -0.385 . . . . 0.0 111.353 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.636 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 15.0 pt20 -72.66 -31.16 1.49 Allowed Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.657 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 83' ' ' GLN . 20.1 Cg_exo -65.31 -21.24 61.71 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.841 1.694 . . . . 0.0 111.445 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 3.0 m-85 -114.99 -25.65 8.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p30 44.34 31.19 0.55 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.08 0.466 . . . . 0.0 111.41 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -114.22 60.51 1.02 Allowed Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.414 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.47 -74.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.582 2.188 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 55.5 p-10 -104.11 35.76 2.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -95.34 71.55 3.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -157.63 -47.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 73.3 mt-30 -59.5 -53.83 53.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.385 179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.315 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.32 -52.34 65.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.929 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.662 ' HD3' ' N ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -79.6 -15.52 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.353 179.666 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.662 ' N ' ' HD3' ' A' ' 95' ' ' LYS . 23.2 tptp -65.07 -16.91 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.875 0.369 . . . . 0.0 110.645 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 97' ' ' VAL . 44.1 t -129.87 2.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.281 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.08 -28.88 66.9 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.815 0.34 . . . . 0.0 111.08 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.7 55.56 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.85 -27.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 78.9 t60 -86.85 13.62 8.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 93.7 mt-10 -105.8 -23.42 12.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 72.0 mt 75.09 -55.69 0.64 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -104.91 99.62 19.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.967 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.27 47.85 2.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.597 2.198 . . . . 0.0 112.582 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 106' ' ' LEU . 4.0 mp 59.68 30.64 20.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.27 -30.52 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 57.0 mt -101.13 -43.99 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.059 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.756 HG23 ' HD3' ' A' ' 112' ' ' ARG . 10.3 p -76.66 63.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 111.2 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.423 ' O ' ' CG ' ' A' ' 111' ' ' GLN . 1.5 m-20 -75.0 -49.04 21.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.898 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 110' ' ' ASP . 76.2 mt-30 -161.82 62.24 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.001 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.756 ' HD3' HG23 ' A' ' 109' ' ' VAL . 0.2 OUTLIER -38.11 -51.25 3.22 Favored Pre-proline 0 N--CA 1.463 0.212 0 CA-C-O 120.612 0.244 . . . . 0.0 110.833 178.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.514 ' O ' ' HB3' ' A' ' 114' ' ' SER . 60.2 Cg_exo -41.26 -47.7 5.32 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.759 2.306 . . . . 0.0 112.758 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' ' 113' ' ' PRO . 27.0 t 81.75 -25.13 0.17 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.855 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 t -110.62 16.16 21.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 118' ' ' SER . 9.4 tpt180 58.03 -91.7 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.058 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 116' ' ' ARG . . . 66.28 -7.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.907 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 120' ' ' ARG . 41.8 t -95.82 -105.97 0.15 Allowed 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.728 -0.215 . . . . 0.0 111.056 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.2 t 63.02 -3.85 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.588 -178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 118' ' ' SER . 76.7 mtp180 -100.88 -34.87 9.62 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.84 -61.16 2.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.401 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.1 t -65.55 -35.43 80.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.6 t 59.99 54.08 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 124' ' ' ARG . 37.0 ptt85 -177.58 106.68 0.22 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.74 -40.5 63.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.419 2.079 . . . . 0.0 112.113 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.586 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 79.8 ttt180 -179.91 -49.09 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.203 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.787 ' HG2' HD23 ' A' ' 130' ' ' LEU . 1.4 Cg_endo -85.78 45.66 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.182 2.588 . . . . 0.0 112.588 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 65.8 t0 55.6 53.26 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 65.86 28.09 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.157 0.503 . . . . 0.0 111.469 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.787 HD23 ' HG2' ' A' ' 127' ' ' PRO . 76.7 mt 67.44 -2.04 1.4 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.993 178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 128' ' ' ASP . 12.5 pt-20 -99.03 24.93 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.386 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.961 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.161 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 145.31 35.9 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.603 2.202 . . . . 0.0 112.324 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.639 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -148.82 127.8 12.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.7 -83.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 84.5 p -79.2 -34.27 0.92 Allowed Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' SER . 84.2 Cg_endo -89.52 11.4 2.9 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 122.533 2.155 . . . . 0.0 112.683 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -103.09 9.5 38.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER 63.39 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.042 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -166.89 150.71 6.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.3 p -87.77 -41.46 13.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.31 44.78 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.4 m -88.74 112.28 49.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.48 0.181 . . . . 0.0 110.815 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -55.94 -65.93 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 0.0 112.462 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -111.01 22.8 14.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.101 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.6 t80 57.43 106.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.46 ' HA ' ' CE1' ' A' ' 18' ' ' PHE . . . -130.08 77.9 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.272 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -115.62 -23.4 8.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.508 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -39.03 -32.6 0.09 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.465 179.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 18' ' ' PHE . 24.1 p30 145.89 -33.18 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.512 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.04 -114.56 4.97 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.651 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 81.2 m -84.43 127.32 33.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.2 0.524 . . . . 0.0 111.419 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.7 m -58.18 -30.63 66.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.936 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 70.2 m -55.76 108.35 1.16 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.605 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' ALA . 31.1 Cg_exo -57.87 -17.36 29.8 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.06 1.84 . . . . 0.0 111.149 178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.4 p -59.81 76.66 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.271 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.706 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -60.51 -50.71 84.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.706 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 38.1 Cg_exo -57.33 -156.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.677 2.252 . . . . 0.0 112.304 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.696 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.4 pt? -140.85 -46.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.4 t -110.68 109.01 58.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.778 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -61.73 -28.05 81.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.256 1.971 . . . . 0.0 111.92 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 59.2 mtm 55.97 169.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.237 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.401 ' N ' ' CD ' ' A' ' 33' ' ' PRO . 80.0 p -135.48 54.45 10.59 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.527 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 68.6 Cg_endo -73.37 174.27 12.41 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.572 2.181 . . . . 0.0 111.851 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 33' ' ' PRO . 9.9 Cg_endo -50.38 -19.43 4.63 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.542 2.161 . . . . 0.0 112.59 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.71 40.51 4.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 59.24 110.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' HA ' HG23 ' A' ' 40' ' ' THR . 18.5 ptpt -124.45 40.11 3.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.809 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 38' ' ' LEU . 3.0 tm? -78.17 -36.85 47.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 41' ' ' GLY . 48.0 t -114.52 -54.63 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.407 HG23 ' HA ' ' A' ' 37' ' ' LYS . 82.3 p 50.0 28.43 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.449 ' H ' HG12 ' A' ' 39' ' ' VAL . . . -68.15 -24.8 74.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 65.0 t0 61.72 40.19 13.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -112.88 -32.4 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -60.45 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.226 0.536 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 46' ' ' SER . 42.9 m-80 -65.76 -44.66 85.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.101 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.486 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 17.6 m 87.25 -40.19 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.856 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 95.9 p 52.06 29.32 6.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.227 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.3 m -110.43 -25.1 10.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HD2' ' CZ ' ' A' ' 51' ' ' TYR . 39.7 ptt180 -159.52 -46.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.696 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 45.95 93.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.508 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CZ ' ' HD2' ' A' ' 49' ' ' ARG . 51.5 m-85 -71.56 98.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.854 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -128.71 66.15 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' N ' ' HD3' ' A' ' 53' ' ' LYS . 0.1 OUTLIER -87.48 48.4 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.562 179.651 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -117.99 27.72 8.83 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.187 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.53 72.75 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.993 0.425 . . . . 0.0 110.78 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.6 t -179.48 -34.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.029 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 65.09 -81.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 65.7 36.67 6.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.162 0.506 . . . . 0.0 110.152 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -90.11 29.67 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.34 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.542 ' CZ3' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -154.19 -51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.185 -179.617 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.63 79.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.205 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 75.9 m-80 -144.13 -75.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.544 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' CE1' ' CZ3' ' A' ' 60' ' ' TRP . 18.1 p90 -91.39 23.07 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.337 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.523 ' HB2' ' CH2' ' A' ' 60' ' ' TRP . 47.7 t -106.73 -24.65 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.394 179.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.54 -19.61 62.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.379 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -95.19 -20.13 19.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.368 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.552 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 86.8 mt-30 -62.18 -53.82 49.87 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.642 0.258 . . . . 0.0 111.343 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -52.37 -42.04 63.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.281 0.562 . . . . 0.0 110.358 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -43.6 96.96 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.07 179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.552 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.9 ptm -75.34 -27.44 59.22 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.58 -0.448 . . . . 0.0 111.002 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.93 -47.59 89.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.56 ' O ' HG23 ' A' ' 76' ' ' THR . 86.8 mt-30 -74.83 -64.26 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.53 -31.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.667 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -93.0 -29.88 9.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.894 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.0 p -77.71 -26.53 50.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 111.129 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 72' ' ' GLN . 67.2 p -61.54 -33.15 73.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.016 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.9 mm 57.63 103.03 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.8 m -163.28 -42.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.215 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.532 ' O ' ' OG ' ' A' ' 80' ' ' SER . 29.3 t-20 -56.53 -54.02 50.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.916 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.532 ' OG ' ' O ' ' A' ' 79' ' ' ASN . 80.0 p 67.07 49.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -88.18 54.31 3.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.807 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.785 ' HB1' ' HA ' ' A' ' 86' ' ' ASP . . . -78.7 58.31 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.094 0.473 . . . . 0.0 111.173 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.626 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 83.5 mt-30 -109.84 -50.15 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.006 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.626 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 17.2 Cg_exo -66.92 -30.59 39.61 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.279 1.986 . . . . 0.0 111.595 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -120.52 -36.46 3.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.686 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.785 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 65.0 t0 48.94 44.88 22.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.617 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.15 53.29 2.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.465 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.52 -25.2 21.43 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.573 2.182 . . . . 0.0 112.487 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -96.85 35.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.061 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -128.14 71.78 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -149.99 -46.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.429 ' HA ' ' HE3' ' A' ' 95' ' ' LYS . 73.0 mt-30 -61.84 -42.76 99.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 97' ' ' VAL . 23.7 p30 -71.22 -23.37 62.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.769 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -82.01 -33.89 29.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 20.5 pttp -78.15 -42.95 30.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -66.78 -7.79 23.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 93' ' ' ASN . 46.5 t -120.21 -40.87 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -89.01 -35.42 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.281 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 95' ' ' LYS . . . -81.84 60.22 4.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 161.04 -26.79 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.363 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -80.18 -0.95 38.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.553 0.216 . . . . 0.0 111.386 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -84.23 -31.22 25.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.652 ' N ' HD23 ' A' ' 103' ' ' LEU . 1.5 pt? -174.62 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.429 ' OE1' ' HD2' ' A' ' 105' ' ' PRO . 4.2 tp60 64.19 139.38 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.474 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.429 ' HD2' ' OE1' ' A' ' 104' ' ' GLN . 83.9 Cg_endo -86.63 50.55 2.33 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.631 2.221 . . . . 0.0 112.393 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 52.8 tp -111.9 -48.42 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.76 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.421 ' C ' HD12 ' A' ' 108' ' ' ILE . . . 56.32 27.29 11.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.438 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 108' ' ' ILE . 1.9 mp 68.39 41.51 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.467 0.651 . . . . 0.0 109.904 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 112' ' ' ARG . 46.7 t 70.32 77.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.969 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -83.68 -30.93 26.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.239 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.48 ' HB2' ' HD3' ' A' ' 113' ' ' PRO . 8.3 mm-40 -80.57 -21.8 41.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.621 ' N ' ' HD3' ' A' ' 113' ' ' PRO . 1.0 OUTLIER 55.51 45.06 1.82 Allowed Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.602 -178.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.621 ' HD3' ' N ' ' A' ' 112' ' ' ARG . 48.1 Cg_endo -89.5 -33.72 0.1 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.697 2.264 . . . . 0.0 112.897 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 115' ' ' SER . 49.8 m 63.07 2.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.935 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 113' ' ' PRO . 48.9 m 69.85 34.67 2.52 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.9 mtp85 -119.44 -7.12 10.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.322 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -59.43 -10.44 3.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.05 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.1 t -170.11 39.41 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 120.906 0.384 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -71.07 -8.93 56.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.548 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 39.3 ptt85 -70.82 -36.07 72.78 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.063 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 120' ' ' ARG . . . 80.56 -56.8 0.33 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.308 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 m -165.22 36.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.8 m -71.24 74.83 0.71 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.072 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -128.42 72.48 80.33 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.95 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.53 134.74 49.36 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.52 2.147 . . . . 0.0 112.241 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.616 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 0.0 OUTLIER -163.32 -52.99 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.655 ' HG2' HD23 ' A' ' 130' ' ' LEU . 1.1 Cg_endo -83.68 59.41 6.27 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.893 2.395 . . . . 0.0 111.833 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 63.3 t0 64.79 32.94 10.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.412 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 128' ' ' ASP . 61.3 t0 78.37 30.61 0.4 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.655 HD23 ' HG2' ' A' ' 127' ' ' PRO . 66.9 mt 64.09 5.63 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.705 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.71 -16.26 63.59 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.004 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.918 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 171.84 13.97 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.602 2.201 . . . . 0.0 112.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.683 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -144.46 139.15 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.03 -59.28 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -153.2 64.62 5.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.794 0.33 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.89 -17.9 46.56 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.618 2.212 . . . . 0.0 112.469 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 t -86.33 5.44 34.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.453 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 58.47 64.45 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.923 0.392 . . . . 0.0 110.747 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -50.41 93.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.292 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -69.98 -43.74 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.02 -25.88 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.58 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.6 m 62.93 146.45 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.645 0.259 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.87 -67.23 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.519 2.146 . . . . 0.0 112.471 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -156.33 148.51 23.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.7 t80 67.61 -66.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.987 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 17' ' ' TYR . . . 65.54 -82.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.468 ' CG ' ' O ' ' A' ' 16' ' ' ALA . 61.7 m-85 -159.98 -112.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.345 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 1.1 m-85 40.35 33.94 0.2 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.123 0.487 . . . . 0.0 110.439 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -45.97 -71.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.449 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -173.55 -43.42 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.3 m -106.17 -26.74 11.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.817 0.342 . . . . 0.0 110.82 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.7 t 62.01 23.61 13.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.886 ' O ' HD11 ' A' ' 28' ' ' LEU . 73.3 m -68.23 110.49 5.78 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.216 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.12 -13.18 30.26 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.275 1.983 . . . . 0.0 111.711 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.541 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 37.5 p -30.51 -58.88 0.2 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.483 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.672 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . 172.0 -49.94 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.243 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.804 ' C ' HD12 ' A' ' 28' ' ' LEU . 18.7 Cg_exo -67.71 86.69 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.807 2.338 . . . . 0.0 113.064 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.886 HD11 ' O ' ' A' ' 23' ' ' SER . 6.2 mp -134.62 32.85 3.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.498 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.1 p -179.04 142.21 0.39 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.925 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -67.7 -5.73 15.01 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.313 2.008 . . . . 0.0 111.6 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.529 ' HG2' ' HD2' ' A' ' 33' ' ' PRO . 40.8 ttp -46.78 167.16 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.487 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 65.7 m -34.64 -57.84 0.72 Allowed Pre-proline 0 N--CA 1.467 0.418 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.529 ' HD2' ' HG2' ' A' ' 31' ' ' MET . 3.4 Cg_endo -46.86 171.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.522 2.148 . . . . 0.0 112.467 -179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -50.97 94.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.697 2.265 . . . . 0.0 112.396 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' H ' HG21 ' A' ' 40' ' ' THR . . . -103.92 -48.71 1.14 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.38 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 67.82 47.96 1.08 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 121.248 0.547 . . . . 0.0 109.79 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.34 -46.51 0.51 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.126 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.5 tp -110.86 67.19 0.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.695 HG22 ' HB2' ' A' ' 43' ' ' ARG . 48.5 t 55.51 63.4 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 40' ' ' THR . 75.6 m -108.94 47.43 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.729 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 97.09 27.24 9.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.38 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.76 -47.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.695 ' HB2' HG22 ' A' ' 39' ' ' VAL . 53.5 mtp85 -98.27 38.0 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -103.57 -30.43 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -94.36 -55.04 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.3 p -178.62 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.04 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.8 p 51.82 73.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.452 ' CB ' ' HD2' ' A' ' 49' ' ' ARG . 80.3 m -131.72 -54.48 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.745 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' HD2' ' CB ' ' A' ' 48' ' ' CYS . 6.2 mpt_? -131.91 -42.5 1.0 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.318 0.58 . . . . 0.0 109.52 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.432 HD22 ' N ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -48.26 129.19 15.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.698 179.603 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -137.17 37.6 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -92.24 -49.16 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.986 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 57.5 31.89 20.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.221 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -177.31 -171.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.891 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 61.42 62.54 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 88.1 p -161.0 -42.54 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.994 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 66.13 -73.38 0.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 56.95 25.28 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -105.83 32.04 4.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.552 ' O ' ' HB3' ' A' ' 61' ' ' ALA . 3.1 p-90 -127.95 -28.8 2.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.343 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 60' ' ' TRP . . . 77.16 109.92 0.07 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.986 0.422 . . . . 0.0 111.363 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.48 ' HB3' ' CH2' ' A' ' 60' ' ' TRP . 23.4 p30 -99.33 51.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 2.6 m-85 -102.56 -49.98 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.237 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.6 m -159.06 26.6 0.21 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.015 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.68 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . . . 47.0 32.59 1.93 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.323 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -51.16 -26.99 7.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.318 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -61.92 -52.39 64.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.832 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.52 -44.92 66.03 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.552 0.691 . . . . 0.0 109.531 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.68 ' NH1' ' HB3' ' A' ' 65' ' ' ALA . 10.4 mpt_? -53.63 -46.86 70.65 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.397 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.446 ' HA ' ' HB3' ' A' ' 73' ' ' ALA . 50.3 ttm -69.6 -32.47 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.924 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.11 -50.38 39.67 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.8 -57.05 12.22 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 176.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 70' ' ' MET . . . -36.87 -30.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 113.991 -1.459 . . . . 0.0 112.421 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.1 -24.27 8.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.833 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.48 ' C ' ' HG1' ' A' ' 76' ' ' THR . 47.9 t -84.35 -54.46 4.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.729 0.299 . . . . 0.0 110.732 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.48 ' HG1' ' C ' ' A' ' 75' ' ' SER . 82.5 p 53.43 -86.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.568 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 75' ' ' SER . 60.7 mt 59.83 -82.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.586 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.5 t -96.65 -14.51 22.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.698 0.285 . . . . 0.0 111.071 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -133.6 75.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.423 ' HA ' ' HB ' ' A' ' 76' ' ' THR . 81.0 p -90.19 -21.52 22.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.445 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.447 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.7 p80 177.59 -49.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.331 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 41.79 30.89 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.583 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.454 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 78.9 mt-30 -90.17 -46.28 0.4 Allowed Pre-proline 0 CA--C 1.532 0.254 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 83' ' ' GLN . 84.5 Cg_endo -81.08 -19.91 7.79 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.266 1.977 . . . . 0.0 113.152 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 87' ' ' PHE . 49.3 m-85 -111.97 -34.29 6.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.0 p30 43.3 31.22 0.37 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.341 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.539 ' N ' ' HD2' ' A' ' 88' ' ' PRO . 17.5 m-30 -63.28 -49.23 80.58 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.461 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 87' ' ' PHE . 59.9 Cg_endo -72.71 -167.79 0.36 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.23 1.953 . . . . 0.0 112.507 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -87.84 39.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.712 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -121.6 80.54 1.69 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.169 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -177.21 -87.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.083 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -55.9 -64.06 0.98 Allowed 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 97' ' ' VAL . 22.5 p30 -63.11 -28.56 70.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.742 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.93 90.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -79.53 -37.68 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.987 179.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -75.67 -1.53 25.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.592 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 93' ' ' ASN . 65.8 t -123.59 -40.31 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 110.989 179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.46 66.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.988 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.98 57.63 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.57 -29.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.429 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.43 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 79.2 t60 -85.53 16.19 4.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.797 0.332 . . . . 0.0 111.047 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 103' ' ' LEU . 49.5 mt-10 -114.18 -7.12 13.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.966 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 74.0 mt 73.82 -58.75 0.58 Allowed 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 21.7 pt20 44.33 89.94 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.24 0 CA-C-O 120.858 0.361 . . . . 0.0 111.481 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.42 -25.08 13.27 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.609 2.206 . . . . 0.0 112.593 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.701 ' H ' HD23 ' A' ' 106' ' ' LEU . 1.6 pt? -141.3 139.77 33.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.502 ' C ' HD12 ' A' ' 108' ' ' ILE . . . -98.6 18.59 16.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.308 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 108' ' ' ILE . 2.5 mp 66.39 29.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.348 0.594 . . . . 0.0 110.066 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -152.1 45.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.031 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -56.44 -44.96 80.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.063 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.769 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 10.8 mm100 -75.03 -45.08 44.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.769 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.6 OUTLIER 107.59 -50.4 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 110.848 -178.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.563 ' HD2' ' C ' ' A' ' 111' ' ' GLN . 67.9 Cg_endo -86.13 82.42 1.42 Allowed 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.628 2.219 . . . . 0.0 111.949 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 115' ' ' SER . 48.3 t -78.02 44.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.544 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 114' ' ' SER . 30.2 m 76.28 45.56 0.11 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.146 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.538 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 54.1 mtp85 -129.02 -118.85 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.87 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 116' ' ' ARG . . . 73.91 -2.22 2.84 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.525 0.202 . . . . 0.0 111.13 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.5 t -130.96 42.47 3.23 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.0 0.429 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.1 t -72.4 -8.37 54.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.695 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.561 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 75.1 mtt-85 -88.37 -42.4 12.21 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.033 0.444 . . . . 0.0 110.558 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.623 ' HB3' ' CD1' ' A' ' 130' ' ' LEU . . . 79.33 -59.53 0.37 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.108 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.4 t -171.98 29.06 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.4 t 49.34 43.19 23.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -109.46 86.55 4.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.178 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -78.1 137.77 15.69 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.637 2.225 . . . . 0.0 112.326 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.633 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 12.6 tpt180 -169.86 -50.87 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.281 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.633 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 8.4 Cg_endo -90.63 -70.03 0.0 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 123.137 2.558 . . . . 0.0 112.043 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 131' ' ' GLU . 64.6 t0 -156.43 35.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.026 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.463 ' OD1' ' O ' ' A' ' 129' ' ' ASP . 8.9 t70 74.3 26.77 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.54 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.623 ' CD1' ' HB3' ' A' ' 121' ' ' ALA . 80.1 mt 63.74 1.5 1.1 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.743 178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 128' ' ' ASP . 12.5 pt-20 -100.69 25.68 7.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.252 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 54.5 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.914 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 -166.61 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.607 2.205 . . . . 0.0 112.206 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 3' ' ' LEU . 5.2 tt 63.87 100.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.79 -28.1 0.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.419 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -144.2 77.54 14.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -86.53 24.73 0.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.881 2.387 . . . . 0.0 112.862 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.5 t -100.44 -16.97 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 110.838 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 64.17 62.15 0.87 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.013 0.435 . . . . 0.0 110.423 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -46.27 95.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.283 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -80.68 -50.18 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.46 60.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.7 m -109.75 95.76 21.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.65 0.262 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -48.84 -52.45 8.61 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.579 2.186 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -162.75 80.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' O ' ' CE2' ' A' ' 17' ' ' TYR . 8.7 t80 -172.03 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.445 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . 37.48 86.99 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CE2' ' O ' ' A' ' 15' ' ' TYR . 43.1 m-85 -150.43 9.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.455 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' CE2' ' CA ' ' A' ' 20' ' ' GLY . 1.9 p90 -49.36 -24.36 1.87 Allowed 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.174 0.512 . . . . 0.0 110.129 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 68.25 34.9 3.7 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.583 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' CA ' ' CE2' ' A' ' 18' ' ' PHE . . . -122.28 41.83 1.76 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.507 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.43 ' HB2' ' HG3' ' A' ' 24' ' ' PRO . 65.5 m -100.24 136.75 39.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.6 t -52.86 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.7 m -142.54 69.24 20.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.43 ' HG3' ' HB2' ' A' ' 21' ' ' CYS . 45.5 Cg_endo -66.63 -17.28 52.62 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.539 2.159 . . . . 0.0 111.872 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 55.8 m -75.59 72.39 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.041 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.641 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -49.41 -48.49 74.9 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.537 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 37.3 Cg_exo -57.63 -155.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.775 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.6 pt? -133.25 -44.06 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 87.2 p -93.54 110.26 45.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.72 -22.65 29.9 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.505 2.137 . . . . 0.0 112.643 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.6 161.11 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.89 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.458 ' HA ' ' HD2' ' A' ' 33' ' ' PRO . 80.0 p -94.96 94.71 1.31 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HG2' ' HD3' ' A' ' 34' ' ' PRO . 1.5 Cg_endo -46.83 -58.35 1.77 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.278 1.985 . . . . 0.0 112.439 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HD3' ' HG2' ' A' ' 33' ' ' PRO . 60.2 Cg_endo -71.55 61.91 2.86 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.362 2.041 . . . . 0.0 112.116 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -58.55 -57.55 19.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.721 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 59.78 31.71 20.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.815 0.34 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -97.55 25.51 5.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.276 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.2 tp -98.57 -30.72 12.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.827 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.82 HG12 ' CG ' ' A' ' 43' ' ' ARG . 26.9 m -122.94 27.63 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.373 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 40' ' ' THR . 67.4 m -86.22 57.96 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.43 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.41 -17.69 50.2 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.222 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.32 -35.69 73.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.695 0.283 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.82 ' CG ' HG12 ' A' ' 39' ' ' VAL . 20.5 mmt85 -68.66 124.29 23.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.055 0.455 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.466 ' HB3' ' O ' ' A' ' 43' ' ' ARG . 20.4 p30 163.62 -37.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.205 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 46' ' ' SER . 20.6 p30 -114.94 -43.16 3.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.884 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.7 t 68.1 32.97 4.68 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 121.519 0.676 . . . . 0.0 109.426 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' A' ' 48' ' ' CYS . 26.6 t -97.07 -172.07 2.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.068 -179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.436 ' N ' ' OG ' ' A' ' 47' ' ' SER . 53.9 t -179.57 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 50.5 mmt-85 -59.49 -26.82 65.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.982 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -61.45 -30.28 70.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 49' ' ' ARG . 47.6 m-85 61.96 106.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.789 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -83.6 -39.02 20.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 50.19 40.61 22.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.3 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -148.27 60.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.33 78.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.979 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.4 t -105.68 -23.81 12.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 64.83 -77.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 54.21 26.16 6.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.929 0.395 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.9 p30 -131.95 42.05 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -113.57 -39.19 4.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.771 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.79 -32.4 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.506 ' C ' ' HD1' ' A' ' 63' ' ' TYR . 5.3 m120 60.09 19.21 8.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.041 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' HD1' ' C ' ' A' ' 62' ' ' ASN . 5.6 m-85 67.99 -48.28 0.53 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.79 0.329 . . . . 0.0 111.212 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.8 m 66.69 31.16 7.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.458 ' HB1' ' HG3' ' A' ' 67' ' ' GLN . . . -145.71 -53.0 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.852 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 70' ' ' MET . 95.0 mt-10 58.43 19.49 6.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.439 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.458 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 86.3 mt-30 -59.04 -50.34 74.45 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.761 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -54.08 -42.4 69.29 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.432 0.634 . . . . 0.0 109.368 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.16 -47.54 85.71 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.7 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.571 ' HE2' ' HA ' ' A' ' 70' ' ' MET . 11.9 mmt -61.93 -31.56 71.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.194 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.63 -48.59 83.52 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.12 -63.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.416 0.627 . . . . 0.0 109.58 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -40.34 -40.42 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.597 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.4 -36.01 50.83 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.412 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.3 t -67.98 -35.93 79.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 110.501 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.1 p 49.3 41.53 20.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.424 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.7 mm -55.68 96.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 0.0 110.962 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 55.2 m -165.62 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -77.87 56.8 1.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.448 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.3 p -144.65 -43.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.925 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.614 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.3 p80 -163.3 -117.38 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 83.78 36.93 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.481 0.658 . . . . 0.0 109.377 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.638 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 78.1 mt-30 -94.61 -50.48 0.25 Allowed Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 114.888 -1.051 . . . . 0.0 111.123 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.638 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 64.8 Cg_endo -90.55 15.39 1.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.657 2.238 . . . . 0.0 112.087 179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.525 ' HB3' ' CD2' ' A' ' 87' ' ' PHE . 15.1 m-85 85.49 -15.52 0.51 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.668 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.517 ' OD1' ' O ' ' A' ' 86' ' ' ASP . 10.0 t70 59.32 34.94 23.1 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.407 0.622 . . . . 0.0 109.822 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.525 ' CD2' ' HB3' ' A' ' 85' ' ' PHE . 14.6 m-85 -129.9 71.4 82.18 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.037 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.2 -65.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.565 2.177 . . . . 0.0 112.117 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -110.85 29.04 8.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -109.86 110.48 21.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 92' ' ' GLN . 14.7 p30 -121.84 -42.52 2.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.553 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.47 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 78.6 mt-30 -67.07 -56.8 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.031 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.412 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 23.4 p30 -67.51 -18.28 64.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -92.51 -20.56 20.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.635 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.0 pttt -90.21 -42.77 10.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.636 0.255 . . . . 0.0 111.448 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' ' 93' ' ' ASN . 65.1 pttt -74.68 -0.58 18.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.282 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.7 t -116.36 -25.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.659 0.266 . . . . 0.0 111.335 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -85.48 5.08 32.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.687 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.82 46.4 1.36 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 120.755 0.312 . . . . 0.0 111.467 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.95 -28.33 0.73 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.777 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.88 -2.13 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.585 0.231 . . . . 0.0 111.463 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 47.2 mt-10 -81.36 -28.2 34.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.697 0.284 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.593 HD13 ' C ' ' A' ' 103' ' ' LEU . 2.5 tm? 74.8 -56.83 0.62 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.62 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.502 ' CG ' ' HB2' ' A' ' 107' ' ' ALA . 68.9 tp60 -149.39 100.83 3.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.695 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.656 ' HB2' HD23 ' A' ' 106' ' ' LEU . 87.8 Cg_exo -43.03 -48.39 7.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.718 2.279 . . . . 0.0 112.73 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 105' ' ' PRO . 1.5 pt? -161.23 -41.75 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.268 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 106' ' ' LEU . . . 78.59 -5.62 2.02 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.645 HG22 ' O ' ' A' ' 108' ' ' ILE . 33.9 mm 70.86 20.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.148 0 CA-C-O 121.061 0.458 . . . . 0.0 110.994 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 109' ' ' VAL . 44.0 t -154.77 50.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.853 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -81.76 -34.52 30.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.732 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.534 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 73.7 mt-30 -57.41 -46.87 83.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 33.5 mmt180 108.05 -50.09 0.0 OUTLIER Pre-proline 0 N--CA 1.472 0.648 0 C-N-CA 124.064 0.946 . . . . 0.0 111.505 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 51.9 Cg_exo -53.17 -65.01 0.15 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.106 1.87 . . . . 0.0 112.289 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.1 t 62.99 9.22 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 44.9 t -155.13 -45.9 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.771 0.32 . . . . 0.0 110.972 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.536 ' N ' ' HD3' ' A' ' 116' ' ' ARG . 0.1 OUTLIER -91.43 -167.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.595 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 116' ' ' ARG . . . 75.79 5.62 3.9 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.327 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.3 t -177.85 35.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 110.909 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.2 t -83.49 5.24 24.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.702 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 54.0 mtp85 -107.18 -26.02 11.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.74 0.305 . . . . 0.0 111.045 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -47.3 -60.71 2.31 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.525 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.0 t 63.3 32.55 14.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.2 p 50.63 26.78 2.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.411 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -156.9 125.56 2.97 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 129' ' ' ASP . 13.9 Cg_endo -56.1 -81.65 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.544 2.163 . . . . 0.0 112.372 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.551 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 82.3 mtm180 -158.94 -49.13 0.01 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.551 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 4.4 Cg_exo -78.27 70.22 7.27 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.753 2.302 . . . . 0.0 112.567 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 48.22 30.93 2.37 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.542 ' O ' ' N ' ' A' ' 131' ' ' GLU . 38.6 t70 59.84 27.36 16.67 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.002 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 132' ' ' ILE . 86.2 mt 62.81 -66.34 0.09 Allowed 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.127 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' A' ' 129' ' ' ASP . 11.8 pt-20 44.33 13.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.65 -179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 130' ' ' LEU . 55.1 mt . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.96 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -167.74 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.579 2.186 . . . . 0.0 112.269 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt 61.04 31.39 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.93 -44.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -139.76 56.72 8.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.43 5.03 6.36 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.705 2.27 . . . . 0.0 112.886 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.6 m -102.54 11.93 37.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.508 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER 64.26 -75.86 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -147.6 131.88 17.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.6 m -73.41 -58.36 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.05 63.85 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -118.09 80.45 15.23 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.751 0.31 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.13 -63.82 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.686 2.257 . . . . 0.0 112.554 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -155.13 97.94 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -176.93 -63.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -65.4 103.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' CD1' ' O ' ' A' ' 16' ' ' ALA . 57.7 m-85 -156.08 13.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.443 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -50.82 -25.67 4.76 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 121.213 0.53 . . . . 0.0 109.851 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 70.54 -68.11 0.22 Allowed 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.152 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.85 -44.35 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.701 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -150.98 55.03 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.696 0.284 . . . . 0.0 111.207 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.6 m 68.12 -62.88 0.35 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.25 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.6 m -42.94 105.03 0.4 Allowed Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.609 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.69 63.32 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.661 2.241 . . . . 0.0 112.015 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 94.4 m -92.66 -32.88 14.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.89 57.7 9.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.31 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.596 ' C ' HD22 ' A' ' 28' ' ' LEU . 48.1 Cg_endo -68.87 170.73 14.84 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.521 2.147 . . . . 0.0 112.262 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 28' ' ' LEU . 2.2 mm? -117.34 -61.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.488 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . 35.3 t 176.75 -55.68 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.197 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.488 ' HD3' ' HB3' ' A' ' 29' ' ' SER . 48.4 Cg_endo -68.05 0.46 4.43 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.077 1.851 . . . . 0.0 112.518 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.3 ttp -112.14 117.32 32.27 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.8 t -147.97 87.65 5.75 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 51.0 Cg_exo -53.6 172.03 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.509 2.14 . . . . 0.0 111.846 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 33' ' ' PRO . 10.9 Cg_endo -53.13 86.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.82 33.56 4.55 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.451 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -128.2 142.27 51.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HD2' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -170.71 -38.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.756 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.788 ' HG ' HG23 ' A' ' 39' ' ' VAL . 59.1 tp 62.92 147.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.788 HG23 ' HG ' ' A' ' 38' ' ' LEU . 45.4 t 64.71 52.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 40' ' ' THR . 57.2 m -150.25 40.06 0.77 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.689 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 109.1 10.8 23.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.688 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -108.84 6.21 25.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.682 0.277 . . . . 0.0 111.182 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 63.66 14.35 8.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.498 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.692 ' OD1' HG22 ' A' ' 39' ' ' VAL . 16.6 m-80 69.0 -65.58 0.28 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.161 0.505 . . . . 0.0 110.808 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -47.39 -63.68 0.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.531 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' OG ' ' A' ' 47' ' ' SER . 79.5 p 179.72 -30.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 46' ' ' SER . 90.6 p 55.2 104.29 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.081 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.88 62.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 50' ' ' ASN . 27.7 mmm180 -150.2 -44.22 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.821 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 64.9 m-20 83.07 -42.09 0.1 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.689 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 49' ' ' ARG . 7.1 m-85 65.03 -75.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -169.32 -45.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 60.31 27.76 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.082 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -113.79 -174.95 2.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.652 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.0 66.9 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.179 0.514 . . . . 0.0 110.665 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.4 t -131.68 -39.8 1.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.31 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 44.83 69.56 0.42 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.005 0.431 . . . . 0.0 111.325 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -132.15 29.27 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.747 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -121.22 21.61 11.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.422 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' HB2' ' A' ' 61' ' ' ALA . 6.5 p-90 -128.75 -51.29 1.24 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 60' ' ' TRP . . . 177.25 71.48 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 121.442 0.639 . . . . 0.0 110.469 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -59.05 -151.94 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.111 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -129.33 16.21 6.07 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.337 0.589 . . . . 0.0 109.46 -179.511 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.2 p 53.94 36.75 25.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.133 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 53.43 61.07 3.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.279 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.74 -35.64 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.537 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 99.1 mm-40 -63.72 -48.24 77.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.921 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -56.96 -39.37 74.45 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.469 0.652 . . . . 0.0 109.687 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 9.9 mtp-105 -59.56 -45.87 90.56 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.643 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.537 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.7 ptm -74.13 -28.44 61.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.63 -47.7 89.62 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.419 -1.072 . . . . 0.0 110.419 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -72.56 -64.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.98 -39.19 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.015 -0.993 . . . . 0.0 111.532 179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.23 -33.8 22.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.381 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ILE . 47.3 t -62.71 -28.66 70.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.604 0.24 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.405 ' OG1' ' N ' ' A' ' 77' ' ' ILE . 44.0 p 56.57 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.394 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' SER . 49.9 mm 67.2 95.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.7 t -153.62 -43.3 0.09 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 80' ' ' SER . 26.8 t-20 -115.59 -55.64 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.723 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 46.1 m 71.28 37.85 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.774 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 10.1 p80 -71.25 -45.53 63.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.163 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 44.52 27.18 0.22 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.775 0.321 . . . . 0.0 111.557 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.546 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 69.5 mt-30 -89.29 -48.18 0.41 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.192 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 9.3 Cg_endo -88.62 -13.05 3.47 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.915 2.41 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.523 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 5.0 m-30 87.52 -14.52 0.43 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.021 0.529 . . . . 0.0 111.017 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 43.88 28.15 0.22 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.09 0.471 . . . . 0.0 111.59 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' N ' ' HD2' ' A' ' 88' ' ' PRO . 15.3 m-30 -67.29 -48.84 46.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.118 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 87' ' ' PHE . 90.3 Cg_endo -79.63 -174.88 2.45 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.346 2.031 . . . . 0.0 112.347 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 47.61 27.34 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.375 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -157.34 77.12 0.85 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -176.19 -76.13 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.446 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.5 mt-30 -66.95 -55.72 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.972 0.415 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.416 ' HA ' ' HE2' ' A' ' 96' ' ' LYS . 23.6 p30 -66.75 -14.4 62.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.74 -21.42 16.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.515 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 20.5 pttp -88.69 -41.38 12.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.632 0.254 . . . . 0.0 111.264 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 93' ' ' ASN . 65.1 pttt -76.22 0.68 18.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.621 0.248 . . . . 0.0 111.199 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 10.6 p -115.74 -37.96 2.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.826 0.346 . . . . 0.0 110.946 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.59 57.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.184 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.26 57.94 3.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.32 -33.68 0.3 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.163 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.452 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 37.1 t-80 -71.01 -12.64 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.106 0.479 . . . . 0.0 110.844 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -87.89 -37.79 16.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.236 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.0 mt 53.59 79.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.881 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -153.58 136.73 10.0 Favored Pre-proline 0 C--N 1.317 -0.816 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.745 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.76 -43.35 38.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.493 2.128 . . . . 0.0 112.437 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 106' ' ' LEU . 5.2 mp -75.77 -73.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.968 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 106' ' ' LEU . . . 69.5 9.71 7.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.668 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.655 HG22 ' O ' ' A' ' 108' ' ' ILE . 33.9 mm 69.9 19.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-O 121.046 0.45 . . . . 0.0 111.082 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.561 ' O ' ' N ' ' A' ' 111' ' ' GLN . 34.5 m -135.13 -26.6 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.285 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.32 -49.62 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.762 0.315 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.753 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 98.9 mm-40 -112.14 -31.87 6.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.753 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.9 OUTLIER 102.54 -60.63 0.0 OUTLIER Pre-proline 0 N--CA 1.474 0.754 0 C-N-CA 123.795 0.838 . . . . 0.0 110.949 -178.628 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.59 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 91.0 Cg_exo -47.25 -60.23 0.96 Allowed 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 122.315 2.01 . . . . 0.0 112.625 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 21.2 m 81.53 -21.57 0.31 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.654 -179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.0 t -113.0 -3.73 13.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 64.41 109.96 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.701 0.763 . . . . 0.0 111.482 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -124.85 3.04 8.13 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.287 179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.6 t -133.88 47.51 2.43 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.2 t -77.61 -3.25 39.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.741 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.571 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 75.8 mtp180 -109.78 -27.25 9.4 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 120' ' ' ARG . . . 79.06 -55.54 0.44 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.276 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.6 t -61.24 -45.66 93.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.9 t 61.45 33.56 18.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -135.26 89.26 23.7 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 130' ' ' LEU . 93.3 Cg_exo -45.23 -63.0 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.749 2.299 . . . . 0.0 112.553 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.637 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 79.8 ttt180 -170.37 -51.5 0.0 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 121.059 -0.257 . . . . 0.0 111.686 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 2.1 Cg_endo -87.89 44.1 0.94 Allowed 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.018 2.478 . . . . 0.0 112.466 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 67.2 t0 55.56 53.57 9.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.999 0.428 . . . . 0.0 110.624 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.6 t70 68.06 34.96 3.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.488 0.661 . . . . 0.0 110.708 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 130' ' ' LEU . 2.3 mp 48.48 23.7 0.64 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.8 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.408 ' HG3' HG23 ' A' ' 132' ' ' ILE . 12.2 pt-20 -63.45 -26.01 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.799 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.58 ' C ' HD12 ' A' ' 132' ' ' ILE . 2.2 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.329 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -77.35 56.42 5.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.644 2.229 . . . . 0.0 112.471 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 3' ' ' LEU . 4.0 mp 53.11 88.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.25 -58.73 0.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.595 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.0 p -112.6 83.18 5.36 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.726 0.298 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -83.52 11.73 3.2 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.724 2.283 . . . . 0.0 112.975 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m -81.93 -23.75 35.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.875 0.369 . . . . 0.0 110.621 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 2.5 mmmp? 59.85 29.54 19.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.796 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 64.46 -76.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.074 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.406 ' O ' ' CE1' ' A' ' 15' ' ' TYR . . . -154.52 29.77 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.549 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 m 60.86 102.29 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.528 0.204 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.87 -63.15 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.595 2.197 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.784 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 11' ' ' GLY . 40.4 m-85 -56.64 119.7 6.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.363 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.22 29.36 7.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 56.51 20.23 4.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.41 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -54.31 -23.9 17.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.009 0.433 . . . . 0.0 110.213 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 67.3 -70.72 0.11 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.107 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -144.01 -50.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 22' ' ' SER . 91.0 m -151.33 -58.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.348 . . . . 0.0 111.433 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.441 ' HB2' ' O ' ' A' ' 21' ' ' CYS . 73.9 m 68.59 28.53 5.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.764 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' THR . 35.0 t -99.93 112.1 63.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.757 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.45 65.74 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.528 2.152 . . . . 0.0 112.015 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' SER . 92.7 m -90.06 -52.68 4.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.831 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . 177.12 -52.46 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 22.5 Cg_exo -64.5 -158.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.555 2.17 . . . . 0.0 112.147 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 27' ' ' PRO . 91.9 mt -147.02 -47.25 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.728 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -87.91 140.75 31.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -62.39 -9.88 16.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.315 2.01 . . . . 0.0 111.583 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 54.4 ttp -44.89 157.38 0.07 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 55.4 m -112.94 93.05 22.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' N ' ' CD ' ' A' ' 34' ' ' PRO . 39.5 Cg_exo -55.68 -47.23 26.48 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.44 2.093 . . . . 0.0 112.431 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 86.4 Cg_endo -81.66 65.26 8.63 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.66 58.09 5.03 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.615 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -152.26 32.83 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.851 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -96.16 42.52 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.791 ' H ' HD23 ' A' ' 38' ' ' LEU . 1.8 pt? -129.51 -23.86 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.387 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.701 HG13 ' HG2' ' A' ' 43' ' ' ARG . 22.0 t -98.16 40.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.153 0.501 . . . . 0.0 110.598 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.0 p -135.84 69.88 1.43 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.972 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 119.69 -32.21 5.09 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 59.3 m-20 -93.09 -84.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.535 -0.333 . . . . 0.0 110.104 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.701 ' HG2' HG13 ' A' ' 39' ' ' VAL . 99.3 mtt180 64.02 7.22 3.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.511 HD22 ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER 158.85 -102.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.542 0.337 . . . . 0.0 110.819 -179.643 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.492 ' O ' ' HB2' ' A' ' 46' ' ' SER . 23.5 p30 -105.79 -10.72 16.56 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 122.319 -0.238 . . . . 0.0 111.34 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.492 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 19.7 m 85.84 -46.29 0.06 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 122.917 0.487 . . . . 0.0 110.763 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 84.5 p 53.16 47.49 24.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.194 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 49.3 t -97.36 24.46 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.807 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' N ' ' HD2' ' A' ' 49' ' ' ARG . 8.8 mpt_? -100.86 24.08 9.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.983 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -102.72 -40.41 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.782 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 63.36 -77.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -156.03 -46.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 pttt 43.59 51.51 6.33 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.455 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -163.03 47.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.54 86.35 6.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.3 t -150.85 -43.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 65.73 76.39 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -115.74 13.87 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.859 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 65' ' ' ALA . 23.2 p30 -117.4 34.37 5.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.139 0.495 . . . . 0.0 110.4 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -104.32 -41.23 5.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.122 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.53 16.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.2 m-80 -98.9 -6.31 29.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.594 0.235 . . . . 0.0 111.271 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 55.23 31.66 16.96 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.7 p -90.47 -29.05 18.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' ' HG2' ' A' ' 67' ' ' GLN . . . -103.43 -43.24 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.361 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 62.03 20.8 11.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.568 ' HG2' ' HB1' ' A' ' 65' ' ' ALA . 99.1 mm-40 -68.64 -59.86 2.82 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.806 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -51.6 -39.15 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.489 0.661 . . . . 0.0 109.68 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -45.63 90.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.641 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.531 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 20.6 ptp -75.43 -25.72 57.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.924 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.37 -44.99 97.34 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -72.85 -64.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.33 -32.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.654 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -90.53 -31.39 10.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.696 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' ILE . 92.5 p -74.11 -14.42 60.97 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.899 -0.177 . . . . 0.0 111.312 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.429 HG21 ' NZ ' ' A' ' 96' ' ' LYS . 65.5 p 54.59 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.769 0.318 . . . . 0.0 111.53 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 75' ' ' SER . 49.5 mm 64.81 98.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -106.93 -29.57 9.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 80' ' ' SER . 46.0 t30 -127.25 -42.45 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.746 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 79' ' ' ASN . 33.4 t 76.01 68.67 0.07 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -117.23 21.75 12.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.726 ' HB1' ' HA ' ' A' ' 86' ' ' ASP . . . -70.13 61.87 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.227 0.537 . . . . 0.0 111.294 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.606 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 83.5 mt-30 -118.35 -49.5 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.898 179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.606 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 16.8 Cg_exo -68.32 -28.48 33.18 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.395 2.064 . . . . 0.0 112.299 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 84' ' ' PRO . 38.5 m-85 -135.92 -41.99 0.67 Allowed 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 120.844 0.354 . . . . 0.0 111.098 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.726 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 9.8 t70 51.2 53.56 12.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.154 0.502 . . . . 0.0 110.03 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -124.62 72.34 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.949 -179.119 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -54.19 169.27 0.71 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.575 2.183 . . . . 0.0 111.984 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.487 ' HA ' ' HB2' ' A' ' 93' ' ' ASN . 1.5 m-20 60.6 67.45 0.83 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.546 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -108.04 -79.66 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.389 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.42 ' ND2' ' HG3' ' A' ' 92' ' ' GLN . 7.7 p-10 -113.7 -62.15 1.64 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.616 -0.265 . . . . 0.0 111.683 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 73.6 mt-30 -68.54 -49.72 57.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.074 0.464 . . . . 0.0 110.598 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.487 ' HB2' ' HA ' ' A' ' 89' ' ' ASP . 72.8 m-20 -67.63 -29.99 69.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.715 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' A' ' 98' ' ' ALA . . . -75.46 -32.05 60.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.452 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 0.0 OUTLIER -78.71 -40.66 33.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.618 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 92' ' ' GLN . 62.9 pttt -87.42 19.62 3.21 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.445 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 60.7 t -142.42 -35.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.118 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 94' ' ' ALA . . . -86.95 -27.7 23.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.95 60.33 2.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 155.65 -22.98 0.55 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.652 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -67.05 -10.05 45.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.413 ' HB2' HD23 ' A' ' 103' ' ' LEU . 55.5 mt-10 -58.31 -38.78 77.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.941 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.65 ' N ' HD23 ' A' ' 103' ' ' LEU . 1.4 pt? -176.88 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.392 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 103' ' ' LEU . 41.3 tt0 -139.56 102.38 7.2 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.926 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.38 -10.7 27.46 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.558 2.172 . . . . 0.0 112.779 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.56 HD13 ' C ' ' A' ' 106' ' ' LEU . 2.2 tm? -55.61 -80.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.595 0.236 . . . . 0.0 110.539 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.83 ' C ' HD12 ' A' ' 108' ' ' ILE . . . 78.02 -57.85 0.47 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.539 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.83 HD12 ' C ' ' A' ' 107' ' ' ALA . 4.6 mp -153.39 -53.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.816 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 109' ' ' VAL . 22.6 m -159.35 104.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.733 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -68.11 -39.02 82.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.46 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.741 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 3.9 mm100 -114.53 -34.96 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.469 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.741 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.6 OUTLIER 101.14 -60.47 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.69 0 C-N-CA 123.713 0.805 . . . . 0.0 111.481 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.558 ' HD2' ' C ' ' A' ' 111' ' ' GLN . 95.7 Cg_exo -45.52 -60.79 0.73 Allowed 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 122.196 1.93 . . . . 0.0 112.683 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.3 p 53.15 15.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.165 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.425 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 80.1 p -97.93 -28.45 13.81 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.895 0.378 . . . . 0.0 110.79 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.51 ' C ' ' H ' ' A' ' 118' ' ' SER . 47.9 mtp85 -64.17 -20.94 66.35 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.212 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.38 34.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.277 178.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.51 ' H ' ' C ' ' A' ' 116' ' ' ARG . 89.2 p 54.94 31.96 17.01 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.068 0.461 . . . . 0.0 110.635 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.425 ' HB3' ' HA ' ' A' ' 115' ' ' SER . 41.9 t -67.47 -9.82 45.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.671 179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -77.06 -22.72 52.48 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.11 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -46.37 -59.54 2.88 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.631 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 t -55.61 -48.84 74.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.5 t 59.55 84.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -73.93 111.12 11.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.27 97.14 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.406 2.071 . . . . 0.0 112.257 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.644 ' HB3' ' HD3' ' A' ' 127' ' ' PRO . 2.5 tpm_? -93.47 -50.92 0.26 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.096 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 126' ' ' ARG . 1.5 Cg_endo -84.7 53.22 3.7 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.064 2.509 . . . . 0.0 111.89 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 129' ' ' ASP . 63.3 t0 64.88 32.56 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.42 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' HB3' ' O ' ' A' ' 128' ' ' ASP . 38.6 t70 72.42 45.19 0.37 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.306 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 130' ' ' LEU . 2.6 mp 42.29 26.58 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.252 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.574 ' HG3' HG23 ' A' ' 132' ' ' ILE . 12.3 pt-20 -77.63 -18.88 56.31 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.968 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.574 HG23 ' HG3' ' A' ' 131' ' ' GLU . 28.5 pt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.168 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.17 -173.49 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.552 2.168 . . . . 0.0 112.271 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.668 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -145.59 123.61 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.76 -48.03 0.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -153.71 75.72 6.21 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.738 0.304 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -78.7 5.34 5.68 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.043 2.495 . . . . 0.0 112.772 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.0 m -80.61 -20.49 43.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.716 0.293 . . . . 0.0 111.206 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.494 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER 59.84 29.74 19.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.932 -179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 38.14 76.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.799 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 80.8 m -67.03 -28.75 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.768 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.38 -57.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.322 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.437 ' N ' ' HD3' ' A' ' 13' ' ' PRO . 59.4 m -164.92 59.82 0.69 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.311 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 12' ' ' SER . 55.5 Cg_exo -52.22 -65.97 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.548 2.166 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -102.7 49.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.6 t80 59.52 77.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.19 119.68 6.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' O ' ' OD1' ' A' ' 19' ' ' ASN . 8.1 m-30 67.71 29.4 6.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 14.9 p90 -64.3 -18.13 64.31 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.417 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' PHE . 6.1 m120 70.89 -64.51 0.37 Allowed 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.85 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 165.25 95.39 0.1 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.492 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.5 m -89.53 37.43 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.516 0.198 . . . . 0.0 111.378 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.1 m 61.65 -81.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.671 0.272 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.1 m -52.8 105.93 0.59 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.53 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -56.09 -18.61 23.7 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.015 1.81 . . . . 0.0 110.995 178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.51 ' C ' ' HD3' ' A' ' 27' ' ' PRO . 46.7 p -59.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.239 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.579 ' N ' ' HD3' ' A' ' 27' ' ' PRO . . . -121.47 45.7 0.96 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.885 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' A' ' 26' ' ' ALA . 54.1 Cg_exo -51.31 -167.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 122.383 2.055 . . . . 0.0 112.723 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 27' ' ' PRO . 90.1 mt -136.33 -46.55 0.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.737 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -114.91 109.5 47.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.65 -25.57 11.45 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.468 2.112 . . . . 0.0 112.4 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 50.4 mtm 62.33 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.661 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.584 ' N ' ' HD3' ' A' ' 33' ' ' PRO . 56.5 m 55.78 56.07 9.87 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.849 0.357 . . . . 0.0 110.052 -178.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HD3' ' N ' ' A' ' 32' ' ' SER . 22.9 Cg_exo -61.52 -48.1 10.12 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.482 2.121 . . . . 0.0 112.802 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 33' ' ' PRO . 44.2 Cg_endo -79.86 -76.62 0.01 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.176 1.917 . . . . 0.0 112.482 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.78 -58.54 1.26 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.569 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -112.67 106.23 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' THR . 14.8 ptmm? -168.93 -49.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.852 ' HG ' HG23 ' A' ' 39' ' ' VAL . 61.6 tp 52.42 -86.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.632 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.852 HG23 ' HG ' ' A' ' 38' ' ' LEU . 61.2 t -113.21 -41.72 3.86 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.803 0.335 . . . . 0.0 111.271 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 37' ' ' LYS . 81.5 p 51.2 26.35 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.263 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 116.28 -77.03 0.27 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.568 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.04 99.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.593 ' HA ' HG13 ' A' ' 39' ' ' VAL . 78.2 mtt-85 -61.95 -19.9 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 74.16 4.64 4.59 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.067 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -119.66 -34.02 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.931 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.4 t -178.76 -45.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.8 p 51.72 24.96 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.314 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.5 t -128.39 -21.49 3.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.375 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -176.99 -39.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.767 0.317 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 67.21 -73.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.956 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -179.17 35.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.458 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -87.11 -44.88 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.744 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 54.0 29.1 9.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -147.26 -175.98 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 56' ' ' SER . . . -61.11 -41.26 96.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 43.5 t 69.36 26.06 5.38 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 56' ' ' SER . 66.3 mm-40 73.61 -100.29 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.206 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 56' ' ' SER . 15.8 mp0 55.34 31.48 16.82 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -143.54 43.69 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.69 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -119.65 -38.72 2.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.841 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -143.73 0.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.193 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -84.5 63.51 7.9 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.95 0.405 . . . . 0.0 111.186 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 63' ' ' TYR . 2.1 m-85 -134.4 -46.05 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.424 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.7 m -92.72 25.85 2.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.22 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.0 20.8 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.205 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -94.37 -34.75 12.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.508 ' HA ' ' HG2' ' A' ' 70' ' ' MET . 9.6 mm100 -63.37 -48.74 76.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.778 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -55.37 -42.39 73.88 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 121.654 0.74 . . . . 0.0 109.409 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -56.53 -47.3 79.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.972 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.508 ' HG2' ' HA ' ' A' ' 67' ' ' GLN . 21.9 ptm -72.81 -30.26 63.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.762 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.1 -54.37 35.98 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.649 -0.981 . . . . 0.0 110.649 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -65.94 -62.37 1.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.453 0.644 . . . . 0.0 109.556 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.68 -27.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.484 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.5 -21.94 7.67 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.439 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.5 m -82.81 -48.48 10.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.741 0.305 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 67.9 p 52.38 23.38 2.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.452 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.0 mm 41.7 88.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 111.819 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.5 m -130.67 -14.4 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.146 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.418 ' O ' ' HB2' ' A' ' 80' ' ' SER . 0.9 OUTLIER -178.79 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.787 0.327 . . . . 0.0 110.504 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' ASN . 45.9 m 71.09 55.35 0.22 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.621 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' O ' ' HG3' ' A' ' 83' ' ' GLN . 11.0 p80 -99.96 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.362 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 44.03 27.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.727 0.298 . . . . 0.0 111.446 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.576 ' HB2' ' HD3' ' A' ' 84' ' ' PRO . 87.0 mt-30 -90.82 -58.78 0.24 Allowed Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.685 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' HD3' ' HB2' ' A' ' 83' ' ' GLN . 69.2 Cg_endo -73.31 -15.28 25.32 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.153 1.902 . . . . 0.0 112.636 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' A' ' 84' ' ' PRO . 40.1 m-85 86.38 -13.23 0.56 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.447 0.467 . . . . 0.0 111.192 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.9 p30 44.49 30.42 0.49 Allowed 'General case' 0 CA--C 1.522 -0.105 0 CA-C-O 121.181 0.515 . . . . 0.0 111.135 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -107.47 66.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.618 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.55 -29.34 52.7 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.484 2.122 . . . . 0.0 112.331 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -95.6 44.11 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -117.73 43.75 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -146.68 -46.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.432 ' HA ' ' HE2' ' A' ' 95' ' ' LYS . 85.0 mt-30 -68.53 -41.63 79.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -68.61 -20.47 64.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.929 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.53 -37.74 17.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.342 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HE2' ' HA ' ' A' ' 92' ' ' GLN . 62.7 pttt -73.04 -42.96 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 0.0 110.985 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.35 -10.41 24.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.189 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.5 m -114.44 -29.07 2.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.724 0.297 . . . . 0.0 111.342 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.73 89.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.52 52.83 1.02 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.325 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 176.4 -32.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.729 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.425 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 28.6 t-80 -63.17 -17.54 62.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.934 0.397 . . . . 0.0 111.369 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 103' ' ' LEU . 43.1 mt-10 -59.52 -41.92 91.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 103' ' ' LEU . 2.3 tm? 77.17 -52.06 0.55 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -157.79 156.22 28.06 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.784 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.87 -20.95 31.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.698 2.265 . . . . 0.0 112.562 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.596 HD12 ' N ' ' A' ' 106' ' ' LEU . 4.9 mp -78.5 -79.44 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.517 ' HB3' ' OD1' ' A' ' 110' ' ' ASP . . . 69.67 11.5 7.9 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.568 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 108' ' ' ILE . 43.9 mt 71.46 37.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 121.122 0.487 . . . . 0.0 110.55 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 109' ' ' VAL . 45.7 t 66.53 55.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.517 ' OD1' ' HB3' ' A' ' 107' ' ' ALA . 12.3 p-10 -68.42 -31.31 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.746 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.72 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 86.0 mt-30 -66.42 -48.28 70.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.72 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 0.8 OUTLIER 103.49 -58.54 0.0 OUTLIER Pre-proline 0 N--CA 1.473 0.71 0 C-N-CA 124.075 0.95 . . . . 0.0 111.34 -179.226 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 112' ' ' ARG . 83.5 Cg_exo -47.93 -60.53 0.84 Allowed 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.238 1.959 . . . . 0.0 112.494 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.8 p 53.19 15.66 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.101 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' A' ' 119' ' ' SER . 79.9 p -79.7 -27.6 40.69 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.906 0.384 . . . . 0.0 110.769 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.502 ' C ' ' H ' ' A' ' 118' ' ' SER . 71.8 mtp180 -65.86 -21.01 66.44 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.231 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -74.26 34.97 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 116' ' ' ARG . 89.6 p 55.38 32.04 18.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 121' ' ' ALA . 47.3 t -83.35 7.22 17.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.745 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 121' ' ' ALA . 79.1 mtp180 58.06 -75.53 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.503 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 120' ' ' ARG . . . 166.79 -76.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.818 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.1 m -82.46 -41.41 19.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.7 t 60.06 43.2 14.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 76.6 mtt-85 -77.7 125.25 86.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.82 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.8 98.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.439 2.093 . . . . 0.0 112.284 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.549 ' HB2' ' HD3' ' A' ' 127' ' ' PRO . 38.4 mmt180 -132.75 -50.28 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.306 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 126' ' ' ARG . 1.3 Cg_endo -85.17 -75.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.81 2.34 . . . . 0.0 112.814 -179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 128' ' ' ASP . 6.8 t70 -97.78 13.99 28.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.079 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 131' ' ' GLU . 38.5 t70 61.72 72.15 0.52 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.483 HD22 ' N ' ' A' ' 130' ' ' LEU . 3.3 mm? -56.43 64.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.117 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.644 ' N ' ' O ' ' A' ' 129' ' ' ASP . 10.3 pt-20 -84.76 29.78 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.572 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.946 179.929 . . . . . . . . 0 0 . 1 stop_ save_