data_6qbi_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6qbi _Structure_validation_residue.Date_analyzed 2020-01-24 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 ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.251 0.072 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -52.76 -37.56 59.68 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.637 0.256 . . . . 0.0 111.114 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 14.8 pt-20 -60.5 -30.19 69.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.9 -33.17 19.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.336 0.589 . . . . 0.0 111.065 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -77.65 -30.45 52.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.59 HD21 HG23 ' A' ' 48' ' ' ILE . 65.8 tp -82.9 -25.94 31.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 27.7 ttt180 -54.0 -48.56 70.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.08 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -57.99 -40.4 80.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.542 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HE3' HD13 ' A' ' 12' ' ' LEU . 38.0 mtmt -80.18 -19.29 47.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.911 0.386 . . . . 0.0 111.661 -175.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 78.0 mt -84.63 166.4 17.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.331 0.586 . . . . 0.0 110.755 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -79.66 166.73 21.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.705 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.665 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.12 -56.04 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.606 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 90.7 mt-30 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.962 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.05 -43.02 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.124 0.487 . . . . 0.0 110.551 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 m -64.94 -39.91 94.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.899 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 61.6 m80 -78.06 -18.73 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.427 -177.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD12 HD13 ' A' ' 16' ' ' LEU . 16.4 mt -63.12 -48.75 77.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 171.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 32.2 t70 -63.12 -43.34 98.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.172 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -57.52 -47.98 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.77 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 31' ' ' LEU . 58.9 tp -64.98 -39.82 94.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.143 0.496 . . . . 0.0 110.233 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -61.22 -46.95 88.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.995 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 61.9 mt-10 -53.9 -45.1 71.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.957 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -60.52 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 27' ' ' LEU . 10.1 mp -64.23 -37.29 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.913 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.88 4.0 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.749 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.1 137.7 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.219 0.533 . . . . 0.0 111.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.03 -36.4 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.51 90.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.78 -43.35 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.948 0.404 . . . . 0.0 110.449 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.4 t80 -67.37 -30.91 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.71 -42.7 89.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.411 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.02 -40.84 74.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.036 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.402 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 82.2 t80 -66.72 -39.1 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 62.2 mt -67.05 -21.43 65.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.22 10.01 74.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.008 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 26.9 m-85 -90.57 175.31 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.012 0.434 . . . . 0.0 111.808 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 48' ' ' ILE . 8.2 t0 -64.31 135.22 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.508 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.34 -35.85 72.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.933 0.397 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 m -64.2 -25.04 67.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.524 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.12 -41.65 10.36 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.421 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.59 HG23 HD21 ' A' ' 12' ' ' LEU . 77.8 mt -57.55 -51.92 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.635 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.54 -41.41 94.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 m -68.45 -38.95 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.64 -48.93 79.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.369 . . . . 0.0 110.401 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.49 -40.86 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.61 -37.78 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.7 -46.92 80.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.502 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.5 mt -54.99 -44.93 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 26.1 ttpp -58.41 -41.1 84.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.0 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 m -61.33 -51.63 68.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.556 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 69.5 mm-40 -63.85 -40.67 97.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.358 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.86 -33.09 75.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.728 0.299 . . . . 0.0 111.033 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.82 -24.35 61.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.199 0.523 . . . . 0.0 110.283 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 54.7 mtpt -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.194 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.664 ' SG ' ' HA ' ' A' ' 67' ' ' ALA . 5.2 t -129.41 94.93 3.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -141.72 101.0 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.52 -142.79 3.9 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -79.25 -47.93 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.902 0.351 . . . . 0.0 111.373 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -100.98 15.91 27.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.713 0.292 . . . . 0.0 111.363 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.664 ' HA ' ' SG ' ' A' ' 62' ' ' CYS . . . -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.52 -41.0 65.89 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.329 0.585 . . . . 0.0 111.013 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -71.85 -48.03 48.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.177 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.23 -33.85 76.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.287 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 67.0 mttm -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.056 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 79.0 m -78.19 -41.35 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.795 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -65.59 -34.2 77.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.382 . . . . 0.0 110.962 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -60.36 -30.07 69.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.61 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 72' ' ' THR . 90.1 mttt -55.25 -43.58 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.63 -37.53 79.79 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.3 m -65.25 -44.17 88.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.301 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.6 t -66.29 -36.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.421 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.46 -45.55 80.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.902 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.66 4.82 80.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.2 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.28 -36.61 8.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.982 0.42 . . . . 0.0 110.322 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.0 mt -91.56 5.45 49.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.905 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.1 p -69.81 -27.96 65.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.284 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.03 6.93 25.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.85 166.08 10.85 Favored Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.165 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.1 tt -103.98 -1.52 9.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.728 0.775 . . . . 0.0 109.473 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -72.3 -42.98 64.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.414 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.3 28.3 16.51 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.03 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -87.83 119.89 28.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.83 -154.03 14.39 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.157 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 m -71.99 5.32 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.838 -176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -100.94 -5.98 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -147.52 -33.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.668 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.9 107.57 16.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -143.43 149.2 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 58' ' ' GLU . 17.1 p -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.751 172.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 p -73.22 26.69 0.06 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 96' ' ' THR . 7.1 t . . . . . 0 N--CA 1.452 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.0 -46.36 88.36 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 109.993 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.494 ' HB2' HD12 ' A' ' 24' ' ' LEU . 2.1 pm0 -58.36 -40.18 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.902 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.48 -26.73 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.796 0.331 . . . . 0.0 111.41 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 79.5 mt -87.75 -50.61 6.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.261 0.553 . . . . 0.0 110.451 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.9 tp -73.76 -24.05 59.82 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.593 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -59.43 -38.61 81.1 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.255 0.55 . . . . 0.0 109.776 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -72.36 -20.85 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.772 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HB2' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.34 2.69 39.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 177.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 51.1 mt -107.47 -175.78 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 77.6 p -80.43 167.08 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -65.54 -35.78 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.419 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -77.45 -35.02 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -57.03 -28.37 62.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.945 0.403 . . . . 0.0 110.71 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.1 mttt -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 m -73.92 -41.4 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 0.0 110.234 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.465 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.9 m80 -76.19 -18.73 58.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 9' ' ' GLU . 2.7 tm? -61.88 -55.25 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.1 -39.49 86.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.465 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 89.6 t90 -59.09 -47.25 85.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 30' ' ' ALA . 45.1 tp -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.3 ttmm -60.97 -42.88 99.17 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -69.27 -37.6 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.57 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.9 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.463 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 71.2 mt -75.26 -33.52 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.844 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.33 -60.2 3.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.27 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -73.04 117.22 14.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.18 -28.31 69.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.37 93.17 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.297 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.38 -26.45 23.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.39 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.529 ' O ' HD22 ' A' ' 41' ' ' LEU . 35.2 t80 -66.05 -38.59 88.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -46.75 -45.22 19.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.973 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 10.5 tppt? -58.18 -28.29 64.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.892 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.525 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 86.2 t80 -75.1 -44.91 44.65 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 37' ' ' PHE . 1.9 mm? -63.15 -23.85 67.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.653 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.99 27.92 9.43 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.014 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 18.7 m-85 -100.0 -174.29 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.239 0.52 . . . . 0.0 110.96 174.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 48' ' ' ILE . 6.9 t70 -72.26 135.7 46.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.08 -33.06 72.74 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.018 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -69.24 -29.14 67.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.0 109.868 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.34 -30.94 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 44' ' ' ASP . 92.1 mt -62.62 -54.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -59.9 -40.19 87.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.77 -0.195 . . . . 0.0 111.171 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.7 m -61.69 -44.16 97.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.581 0.229 . . . . 0.0 111.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.23 -50.37 74.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.44 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.82 -40.74 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.221 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.08 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.765 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.78 -46.47 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.187 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.0 mt -54.33 -47.17 69.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.78 174.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -56.1 -44.78 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.001 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.8 m -61.11 -47.79 84.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -73.0 -47.75 42.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 111.201 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 71' ' ' LYS . 14.0 tp -65.95 -20.38 66.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.574 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.86 -21.96 50.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -66.48 -34.89 78.94 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.46 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 24.4 m -80.92 110.05 16.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 -175.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -138.07 100.49 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.05 -167.62 38.47 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.539 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -76.33 -44.07 38.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.163 0.506 . . . . 0.0 110.235 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.77 -18.74 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.492 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -60.01 -25.96 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.724 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.88 -38.39 85.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.399 0.618 . . . . 0.0 110.078 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.44 -30.33 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.46 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.71 -45.73 92.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.981 0.42 . . . . 0.0 110.167 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 97.4 mttt -67.54 -20.32 65.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.975 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.457 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 90.3 m -86.39 -33.34 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.364 176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.9 m -72.68 -35.06 67.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.407 ' HD2' HD11 ' A' ' 59' ' ' LEU . 17.9 t80 -61.18 -28.42 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.207 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 91.7 mttt -58.35 -38.04 76.39 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.643 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -72.47 -31.98 65.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.697 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.2 m -64.24 -44.4 91.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.97 -29.45 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.255 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.3 mt-30 -53.39 -51.6 62.0 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.51 -24.41 60.79 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.015 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.03 -49.78 54.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.595 0.236 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.53 -0.93 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 111.376 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -89.69 -14.89 33.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.835 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.51 10.96 56.52 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.552 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.32 144.3 10.98 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.567 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -84.61 -9.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.443 0.639 . . . . 0.0 110.322 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.66 -40.75 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.716 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.73 15.42 62.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.288 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -75.66 117.8 17.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.457 . . . . 0.0 109.803 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.53 -162.2 24.29 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.1 m -71.38 -6.07 37.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 111.371 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -75.09 -30.33 60.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.44 0.638 . . . . 0.0 109.345 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.51 -55.66 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.161 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.13 116.32 28.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.477 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.46 149.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.974 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.46 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 4.8 p -92.25 109.44 20.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.22 0.533 . . . . 0.0 111.18 174.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 p -82.05 60.96 5.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.756 177.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -43.28 -50.68 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.335 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.485 ' CD ' ' HZ1' ' A' ' 28' ' ' LYS . 11.8 pt-20 -71.73 -26.48 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.742 -174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -69.24 -45.73 69.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.022 0.439 . . . . 0.0 110.16 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.2 -36.55 84.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.401 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.5 tp -76.77 -36.82 56.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.835 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 16' ' ' LEU . 6.1 ptp180 -68.69 -18.68 64.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.082 -174.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.49 -28.03 68.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -86.95 1.59 52.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.369 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 76.8 mt -116.26 158.2 23.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.475 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.556 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.2 m -77.2 174.22 10.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.283 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.542 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 43.2 mt-10 -58.99 -36.81 75.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 110.228 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -66.27 -52.12 50.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.836 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 47.3 mt-30 -67.03 -27.19 67.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.324 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 17' ' ' SER . 61.9 mttm -60.67 -38.67 85.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 110.071 174.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -80.64 -39.89 26.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.978 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -66.59 -26.62 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.88 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.94 -44.84 91.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.205 0.526 . . . . 0.0 109.827 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.83 -39.34 83.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.941 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.51 -41.39 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.739 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HZ1' ' CD ' ' A' ' 9' ' ' GLU . 28.9 ttpt -58.54 -49.09 78.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 175.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.92 -33.59 76.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.355 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.44 60.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.531 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 93.2 mt -68.08 -49.02 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.712 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.36 36.27 91.4 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.327 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 45.8 t-20 -150.27 130.25 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -56.93 -54.67 43.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.88 94.41 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.599 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 33' ' ' ASN . 53.4 mt-10 -70.88 -38.33 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.033 0.417 . . . . 0.0 111.363 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 38.9 t80 -72.1 -37.2 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 109.805 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HA ' HD11 ' A' ' 41' ' ' LEU . 28.1 t70 -57.55 -42.92 83.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.653 176.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -60.27 -33.08 71.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.437 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.723 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 74.3 t80 -71.68 -39.02 70.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 110.17 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 53.0 mt -64.99 -17.17 64.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.945 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.37 24.51 22.34 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.567 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.723 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 4.0 m-85 -89.28 -176.94 5.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.546 ' O ' HG13 ' A' ' 48' ' ' ILE . 8.8 t0 -67.94 130.14 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.216 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.54 -35.56 63.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.281 0.363 . . . . 0.0 111.446 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 2.4 m -67.82 -40.38 83.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.89 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 62.5 mttp -74.25 -36.5 63.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 44' ' ' ASP . 74.2 mt -56.64 -57.44 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.277 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 m -60.97 -45.69 93.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.68 75.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.21 -41.16 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.642 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 39.0 t70 -70.93 -34.35 71.42 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.651 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.42 -49.8 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.72 -49.74 55.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.11 173.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 24.5 tttm -53.94 -42.92 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.514 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 51.7 m -68.57 -51.5 42.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.347 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.1 mm-40 -61.65 -51.64 67.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 111.392 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.45 -29.98 68.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -175.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.134 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' SER . 99.6 mttt -59.56 -36.78 76.84 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.106 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.493 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 16.3 m -85.7 101.17 12.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.371 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -146.18 111.27 5.33 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.714 0.769 . . . . 0.0 109.288 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.21 -163.28 36.59 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.857 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -74.79 -18.34 60.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.262 0.531 . . . . 0.0 111.252 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.71 11.15 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.977 0.417 . . . . 0.0 110.817 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.75 -44.86 66.75 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.302 0.572 . . . . 0.0 111.067 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -68.53 -53.56 22.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.352 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.87 -37.26 83.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.441 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.59 -38.74 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.928 0.394 . . . . 0.0 110.449 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.558 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 95.9 m -72.66 -38.57 67.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -65.78 -31.66 72.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.23 0.538 . . . . 0.0 110.381 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -66.33 -34.0 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.457 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.558 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 73.0 mttt -56.41 -45.59 80.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 173.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -66.62 -35.65 80.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.281 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.9 m -62.72 -52.34 63.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.822 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 74' ' ' PHE . 39.8 t -63.59 -35.17 71.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.6 tm0? -51.86 -54.06 33.47 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.846 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.89 -27.75 68.23 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.698 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -50.35 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.91 -4.6 47.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.3 m -82.36 -15.8 51.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.935 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.75 4.23 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.404 174.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.94 137.01 2.93 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' ' 89' ' ' PHE . 16.6 tt -71.74 -15.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.278 0.561 . . . . 0.0 110.848 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.14 -35.51 77.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.734 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.78 14.9 34.66 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.247 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.414 ' HB2' ' HA ' ' A' ' 86' ' ' ILE . 50.9 t80 -72.71 125.28 27.13 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.35 -157.14 28.81 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -69.93 3.61 2.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.362 0.581 . . . . 0.0 111.201 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.71 -38.56 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.037 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -126.74 -29.14 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.86 113.04 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.02 146.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.046 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.493 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 2.1 p -82.53 103.09 11.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.278 0.561 . . . . 0.0 111.097 174.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 p -73.27 73.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.973 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.507 177.79 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.743 0.306 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HE2' ' HB2' ' A' ' 41' ' ' LEU . 60.4 mtpt -57.43 -38.99 75.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.68 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.421 ' HB2' HD13 ' A' ' 24' ' ' LEU . 13.3 pt-20 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 0.0 110.504 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 20.5 tp10 -79.35 -36.36 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.089 -177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.26 -46.42 67.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.998 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.593 HD21 HG21 ' A' ' 48' ' ' ILE . 54.5 tp -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.979 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 9.3 ptm180 -63.83 -23.1 67.22 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.437 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.41 -26.92 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.78 -15.35 39.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.552 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 68.2 mt -92.59 169.52 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.327 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.635 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 32.0 t -82.25 175.49 10.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.47 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.14 -32.81 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.889 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.08 -43.56 52.44 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.495 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -57.04 -34.73 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.061 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.3 mttt -62.29 -33.79 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.693 0.282 . . . . 0.0 111.261 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -66.68 -43.1 85.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 43.5 m80 -77.95 -22.15 49.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.766 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.3 tm? -59.36 -53.24 60.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 t70 -67.11 -39.95 86.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.47 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 84.4 t90 -54.15 -48.17 71.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD22 ' HG ' ' A' ' 31' ' ' LEU . 2.1 tt -63.1 -36.33 83.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.299 -176.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.47 -52.57 63.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.596 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 4.6 mm-40 -64.51 -28.85 69.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.915 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.1 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.999 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.513 ' HG ' HD22 ' A' ' 27' ' ' LEU . 67.2 mt -70.03 -32.08 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.614 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.72 40.46 96.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.324 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -156.62 179.46 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.024 0.44 . . . . 0.0 110.896 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -105.04 -43.38 5.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.752 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.566 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.46 -56.05 19.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.569 -0.741 . . . . 0.0 114.181 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -41.14 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.738 0.769 . . . . 0.0 111.578 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.409 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 62.8 t80 -73.14 -27.95 61.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.403 . . . . 0.0 110.013 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.566 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 11.2 t70 -55.56 -50.07 71.01 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.268 0.556 . . . . 0.0 110.424 171.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.18 -41.06 87.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.639 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.27 -38.99 85.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.416 . . . . 0.0 110.511 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . 78.3 mt -74.17 -13.84 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.052 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.36 48.74 0.91 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.377 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -123.24 -170.33 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.086 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 48' ' ' ILE . 9.4 t70 -75.87 134.63 40.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.863 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.96 -35.76 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -69.79 -28.41 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -86.73 -34.63 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.593 HG21 HD21 ' A' ' 12' ' ' LEU . 95.6 mt -66.03 -51.3 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.599 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.56 -35.83 82.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -64.65 -44.53 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.44 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.62 90.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.79 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.8 -48.74 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.644 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.3 -31.73 72.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 110.593 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -68.0 -50.74 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.233 175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.6 mt -53.44 -47.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.521 0.677 . . . . 0.0 109.95 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 48.7 tttt -53.17 -48.95 67.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.393 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 55.1 m -59.07 -47.05 86.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.508 ' HB3' HG23 ' A' ' 96' ' ' THR . 58.5 mm-40 -63.64 -47.43 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.53 -32.57 70.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.97 -18.69 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.507 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.435 ' HZ3' ' CD ' ' A' ' 58' ' ' GLU . 97.3 mttt -71.63 -40.82 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 0.0 110.106 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.1 m -92.61 75.07 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.757 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -122.21 86.17 2.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.858 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.99 -149.19 4.95 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.666 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.57 -55.4 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.759 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.86 41.37 1.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -58.91 -45.0 91.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.33 -42.64 91.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.689 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 14.9 tp60 -59.75 -44.53 93.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.756 -175.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -70.56 -43.61 69.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.682 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 65.0 mttm -60.83 -37.97 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.551 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 51.7 m -71.01 -35.8 72.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.509 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m -67.1 -31.62 72.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.45 0.643 . . . . 0.0 109.633 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -69.58 -28.92 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.416 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 85.8 mttt -58.89 -43.65 91.03 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.265 0.555 . . . . 0.0 109.892 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -24.69 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.245 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 m -70.88 -50.24 37.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.519 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.33 -33.2 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.41 ' HG2' HD22 ' A' ' 31' ' ' LEU . 1.4 tm0? -51.8 -52.98 45.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.118 0.485 . . . . 0.0 111.055 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.16 -22.51 65.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.063 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.71 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 0.0 111.273 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.44 -5.01 53.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.196 0.522 . . . . 0.0 111.395 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -74.2 -24.33 59.34 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.79 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.24 5.22 52.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.044 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.28 147.73 13.08 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.725 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -81.7 -6.65 10.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.595 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.42 -36.44 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.854 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.83 15.32 62.84 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.657 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.16 144.4 33.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.294 0.569 . . . . 0.0 109.761 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.96 -152.02 24.17 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.604 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p -69.11 1.61 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.001 0.429 . . . . 0.0 112.093 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.94 -45.57 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.391 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -122.25 -12.71 8.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.84 102.37 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.007 0.432 . . . . 0.0 111.011 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.43 148.22 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.978 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.642 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 4.0 p -93.58 111.75 23.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.142 0.496 . . . . 0.0 110.779 172.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -80.41 50.66 1.31 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.628 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.642 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 28.4 m . . . . . 0 C--O 1.233 0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.789 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.214 0.054 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.35 -39.75 61.1 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.365 0.416 . . . . 0.0 111.085 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 11.4 pt-20 -57.36 -44.12 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 22.9 mm-40 -68.02 -51.2 49.72 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.7 -33.3 72.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.618 HD22 HG22 ' A' ' 48' ' ' ILE . 55.1 tp -83.08 -39.77 20.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.31 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.579 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 39.2 ptt180 -72.76 -7.05 48.73 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.831 -173.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 44.5 mt-10 -62.39 -37.53 86.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.266 0.555 . . . . 0.0 109.578 168.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -89.3 -14.47 35.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.786 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.1 156.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 9.2 m -78.56 168.94 19.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.976 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.79 -36.11 81.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.302 0.572 . . . . 0.0 110.201 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.51 ' OD1' ' HB2' ' A' ' 17' ' ' SER . 5.6 p-10 -66.01 -37.86 86.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.07 -37.73 72.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 98.9 mttt -60.2 -35.29 75.07 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -62.91 -45.93 90.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -82.73 -17.43 44.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.558 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.49 -47.5 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.53 -39.92 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.216 175.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -43.16 87.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.1 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.36 -33.24 75.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -58.48 -45.22 89.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 109.746 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.28 -38.25 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.523 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -61.36 -47.57 85.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.56 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 37' ' ' PHE . 86.6 mt -78.09 -27.63 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.111 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.46 -64.06 3.59 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.112 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.696 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 27.7 t30 -72.74 115.04 11.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.5 -30.4 67.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.269 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.22 -45.98 94.07 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.644 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.696 ' HG2' ' HB3' ' A' ' 33' ' ' ASN . 8.6 pt-20 -82.0 -17.37 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.308 -0.524 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' A' ' 31' ' ' LEU . 35.7 t80 -69.95 -40.82 75.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 171.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -50.38 -41.7 52.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.072 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -48.68 -43.95 37.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.208 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.587 ' CE2' HG23 ' A' ' 48' ' ' ILE . 91.4 t80 -55.66 -44.68 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 9' ' ' GLU . 2.5 mm? -65.79 -23.88 66.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.664 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.52 40.41 3.07 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.942 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -125.79 -174.97 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.723 0.297 . . . . 0.0 110.841 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 48' ' ' ILE . 10.6 t70 -74.9 139.82 43.36 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.065 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.74 -36.74 65.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.364 0.415 . . . . 0.0 110.978 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 m -63.06 -39.31 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HD3' HG23 ' A' ' 86' ' ' ILE . 61.3 mttp -78.32 -40.11 37.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.168 0.509 . . . . 0.0 109.999 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.618 HG22 HD22 ' A' ' 12' ' ' LEU . 79.4 mt -62.36 -52.86 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.923 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.14 -34.02 77.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.95 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -67.35 -41.47 85.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.606 0.241 . . . . 0.0 110.446 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.13 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.78 -44.75 95.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.245 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.23 -30.76 69.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.001 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -65.51 -48.36 72.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.3 mt -52.86 -44.95 49.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.316 0.579 . . . . 0.0 109.852 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.69 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.218 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -63.44 -34.69 78.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.301 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' HB3' HG22 ' A' ' 96' ' ' THR . 76.0 mm-40 -68.29 -52.9 28.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.964 0.412 . . . . 0.0 110.402 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -61.77 -18.04 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 111.207 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.91 -22.8 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.78 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -80.14 -29.78 38.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.419 0.628 . . . . 0.0 110.308 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 76.6 m -86.84 94.1 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.56 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -133.61 96.55 3.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.76 -138.51 7.18 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 119.583 -1.294 . . . . 0.0 114.403 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 66' ' ' ASP . 2.9 p-10 -61.56 -84.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.563 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 5.1 m-20 -82.46 14.26 3.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.483 . . . . 0.0 111.031 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HB3' ' HB3' ' A' ' 62' ' ' CYS . . . -66.01 -49.06 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -176.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.556 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 10.7 m-20 -67.32 -23.77 65.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.771 -175.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -73.92 -42.24 60.9 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.483 ' HB2' ' SG ' ' A' ' 98' ' ' CYS . 11.3 mm100 -66.91 -34.1 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.325 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 88.4 mttt -57.36 -38.68 74.56 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.379 0.609 . . . . 0.0 109.827 174.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.0 m -70.49 -42.51 71.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -68.26 -29.26 68.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.222 0.534 . . . . 0.0 110.956 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.045 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 96.8 mttt -57.44 -36.82 71.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.196 0.522 . . . . 0.0 110.727 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.53 -30.37 46.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 22.6 m -64.89 -43.45 92.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.194 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.1 t -60.61 -39.93 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.321 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -58.95 -36.55 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.412 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.66 -15.26 68.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.605 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.12 -22.45 19.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.944 0.402 . . . . 0.0 111.197 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.62 25.64 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.315 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 m -55.76 -43.6 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.398 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.59 37.32 0.58 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.891 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.53 130.57 1.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.973 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.404 HG23 ' HD3' ' A' ' 47' ' ' LYS . 12.4 tt -95.41 -18.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 110.907 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.54 -14.06 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.344 0.592 . . . . 0.0 110.347 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.94 14.54 44.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.903 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -81.87 109.72 16.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -162.45 16.43 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -75.1 2.17 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 111.811 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.7 -38.31 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -109.13 -61.74 1.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.65 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 77' ' ' THR . . . -89.74 107.08 18.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.449 -171.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.79 139.97 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.569 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.483 ' H ' ' HG1' ' A' ' 96' ' ' THR . 2.2 p -77.16 105.71 8.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.9 174.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 p -72.09 49.3 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.878 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 70' ' ' GLN . 71.2 m . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.583 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 21.0 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -55.3 -46.83 76.22 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.583 ' OE1' ' HB2' ' A' ' 7' ' ' SER . 0.0 OUTLIER -68.49 -38.19 80.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.338 . . . . 0.0 110.11 -179.005 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.59 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.0 tp10 -63.57 -38.62 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.362 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 7' ' ' SER . 57.4 mt -69.85 -43.51 71.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 110.563 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 48' ' ' ILE . 60.4 tp -72.08 -31.76 66.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.709 -175.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 5.5 ptm180 -68.95 -18.42 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.015 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 29.5 mt-10 -70.47 -24.7 62.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -87.35 -19.83 27.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 59.4 mt -91.42 175.05 7.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.137 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 34.2 m -73.17 167.87 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.73 -26.77 57.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.356 0.598 . . . . 0.0 109.58 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.28 -42.51 65.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.629 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -60.64 -29.7 69.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.048 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 17' ' ' SER . 96.6 mttt -57.17 -43.17 82.36 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.306 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -71.4 -33.53 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -75.8 -20.68 58.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.053 0.454 . . . . 0.0 110.433 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.31 -43.22 74.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.04 -47.17 86.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.041 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.98 -43.55 77.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.812 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.53 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -61.32 -43.78 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.17 -32.53 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.096 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.79 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' A' ' 37' ' ' PHE . 58.8 mt -73.73 -22.08 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.88 -62.09 3.98 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.346 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -85.95 124.72 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.44 -20.91 65.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.03 -20.74 76.55 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.248 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -97.06 -28.25 14.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.753 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' HA ' HD11 ' A' ' 31' ' ' LEU . 60.2 t80 -69.12 -29.5 67.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.648 174.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.1 -43.5 66.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.908 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -54.81 -42.21 71.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.391 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.71 -33.24 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.368 0.604 . . . . 0.0 110.389 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 mt -80.12 10.67 4.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.709 -176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.68 25.18 5.66 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.361 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -106.74 178.4 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 111.829 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.12 129.23 41.14 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.38 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.8 mt-10 -61.2 -23.61 65.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.26 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 t -71.5 -38.47 71.16 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -74.57 -41.66 60.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 109.854 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.835 HG22 HD21 ' A' ' 12' ' ' LEU . 65.7 mt -55.15 -58.18 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.085 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.6 mttp -59.15 -40.43 85.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -62.99 -38.85 92.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.987 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.49 -46.22 90.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.264 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.64 -39.48 80.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.87 -42.67 90.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.475 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.88 -48.48 74.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 51' ' ' ALA . 75.7 mt -53.48 -46.68 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -61.94 -45.45 93.62 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -50.78 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 96' ' ' THR . 60.2 mm-40 -60.82 -39.95 90.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.346 0.593 . . . . 0.0 111.254 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.12 -27.34 57.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.584 -178.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.68 -26.66 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -76.69 -18.62 58.43 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 96.9 m -90.78 87.07 6.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.957 173.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -138.68 16.15 2.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.271 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.29 -139.93 4.43 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.801 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -71.41 -67.71 0.5 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 111.078 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -93.35 35.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.353 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -37.6 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.27 -39.89 73.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 110.768 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -72.03 -39.19 69.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.26 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.776 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.63 -35.64 78.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -73.43 -41.58 63.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.938 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.425 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 27.5 m -70.0 -31.26 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' A' ' 59' ' ' LEU . 18.4 t80 -63.69 -23.82 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -58.86 -37.63 76.95 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 32.7 mt-30 -73.76 -33.74 64.42 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.348 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.9 m -65.67 -46.95 77.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.83 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.61 -33.13 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.781 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 83' ' ' SER . 2.6 mm-40 -56.21 -47.18 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.762 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.9 -7.63 87.43 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.026 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.95 -50.55 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 0.0 110.993 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.9 16.13 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.077 0.465 . . . . 0.0 111.331 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 10.2 t -87.78 41.29 0.98 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.365 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.03 -28.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.649 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.73 148.03 9.47 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.932 -1.128 . . . . 0.0 112.746 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -100.08 -14.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.546 0.689 . . . . 0.0 109.962 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.88 -24.88 59.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.936 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.22 7.69 58.62 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.189 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -77.3 121.84 24.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.042 0.449 . . . . 0.0 110.504 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.74 -159.08 25.54 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 m -70.88 1.9 4.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -81.91 -37.25 27.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -126.78 -20.08 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.189 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -127.86 116.44 20.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.564 0.221 . . . . 0.0 111.016 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.82 154.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.974 0.416 . . . . 0.0 111.313 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 58' ' ' GLU . 8.7 p -92.92 127.29 38.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.699 166.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 p -72.17 21.11 0.06 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.472 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.441 ' H ' ' C ' ' A' ' 96' ' ' THR . 45.4 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.57 0.7 . . . . 0.0 109.958 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 8.2 m . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.417 0.151 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.41 -33.93 71.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.842 0.353 . . . . 0.0 110.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 12.4 pt-20 -62.49 -37.14 84.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.328 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.597 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.6 tm-20 -67.57 -42.96 81.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.56 -35.2 70.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.694 HD23 HG23 ' A' ' 48' ' ' ILE . 56.3 tp -74.28 -44.29 53.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.628 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.85 -22.13 65.26 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.422 -174.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 11.8 mm-40 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 0.0 110.884 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.18 -0.23 39.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.015 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 39.0 mt -99.15 172.03 7.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.621 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 64.8 p -90.86 169.76 10.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.929 175.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.88 -34.4 75.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.207 0.527 . . . . 0.0 109.777 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.56 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.182 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.9 mt-30 -59.75 -38.57 82.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.877 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 86.2 mttt -62.33 -36.37 81.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.778 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.2 m -68.59 -44.55 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.922 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 65.3 m80 -73.52 -17.26 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.571 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.1 -44.78 91.26 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -64.56 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.396 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -63.43 -47.77 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.259 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.567 HD11 ' HB1' ' A' ' 30' ' ' ALA . 38.1 tp -65.19 -24.26 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.829 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 35.6 ttmt -60.17 -43.45 95.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.01 -33.57 57.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.238 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 27' ' ' LEU . . . -62.57 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.62 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 36' ' ' GLU . 87.8 mt -83.79 -18.65 36.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.05 -62.25 4.02 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.492 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -92.92 144.95 24.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.879 0.371 . . . . 0.0 110.536 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.21 -36.17 77.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.166 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.62 96.76 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.65 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.496 ' O ' HD13 ' A' ' 31' ' ' LEU . 25.8 mm-40 -76.54 -28.34 56.27 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.501 -0.411 . . . . 0.0 111.448 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.7 t80 -73.52 -35.69 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.32 -38.16 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.164 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 3.2 tppp? -49.8 -51.96 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.665 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CE2' HG21 ' A' ' 48' ' ' ILE . 90.4 t80 -69.53 -35.85 75.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.021 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 77.6 mt -74.57 2.23 10.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.818 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.93 29.07 8.33 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.14 -177.04 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 112.014 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 48' ' ' ILE . 7.9 t70 -71.37 136.95 48.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.296 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.45 -38.0 68.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.291 0.369 . . . . 0.0 111.086 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -61.85 -34.62 76.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.12 0.486 . . . . 0.0 110.034 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HD3' HG21 ' A' ' 86' ' ' ILE . 99.4 mttt -86.81 -37.68 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.694 HG23 HD23 ' A' ' 12' ' ' LEU . 76.3 mt -61.89 -51.84 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HE2' HD21 ' A' ' 16' ' ' LEU . 89.2 mttt -65.14 -29.97 70.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -71.76 -42.22 67.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.33 -47.41 82.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.72 -38.73 91.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.4 -37.73 87.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.679 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.491 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.471 HG21 HD23 ' A' ' 59' ' ' LEU . 66.9 mt -53.68 -39.5 38.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.513 176.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 30.4 ttpt -63.01 -36.11 82.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.177 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -61.55 -55.89 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.485 ' HB3' HG21 ' A' ' 96' ' ' THR . 21.2 mm-40 -62.92 -32.69 74.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.238 -176.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD23 HG21 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -76.27 -26.84 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.331 177.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -76.64 -38.83 53.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.418 0.628 . . . . 0.0 109.89 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HZ3' ' CD ' ' A' ' 58' ' ' GLU . 46.9 mtpt -62.85 -17.75 61.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.531 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -121.22 100.1 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.37 108.64 7.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.979 0.895 . . . . 0.0 109.933 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.49 -166.07 39.29 Favored Glycine 0 C--N 1.315 -0.611 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.591 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -78.73 -25.29 44.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.35 0.575 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.38 -17.45 42.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.207 0.527 . . . . 0.0 110.054 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -60.26 -32.56 71.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.882 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.81 -42.1 75.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.437 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.22 -46.78 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.416 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.15 -37.13 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.76 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 65.1 mttm -65.54 -34.56 78.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.545 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 77.7 m -73.46 -37.42 65.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.659 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.0 m -69.85 -36.85 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.211 0.529 . . . . 0.0 110.767 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.446 ' O ' HG22 ' A' ' 78' ' ' VAL . 16.9 t80 -62.74 -32.4 73.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 87.7 mttt -51.84 -50.45 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.488 0.661 . . . . 0.0 110.704 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.78 -29.12 66.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.638 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.7 m -66.75 -46.38 75.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.572 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 74' ' ' PHE . 93.6 t -61.6 -35.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.1 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.46 -48.86 65.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.64 -20.7 68.06 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.297 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.83 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.885 0.374 . . . . 0.0 111.078 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.3 mt -106.01 30.56 5.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.002 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 p -63.34 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.905 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.83 47.69 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.112 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.46 149.36 5.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.624 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 48' ' ' ILE . 18.2 tt -112.86 -28.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.026 0.413 . . . . 0.0 111.144 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.93 -12.87 60.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 110.719 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.55 -5.56 74.88 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 172.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -83.47 129.32 34.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 110.077 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.76 -155.26 26.55 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -67.64 -1.41 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 111.228 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -79.83 -32.67 40.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -138.12 -10.93 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.57 103.72 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.805 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 m -138.09 147.64 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.628 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 58' ' ' GLU . 20.1 p -96.64 118.13 32.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.082 169.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.9 p -78.86 31.05 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.92 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -177.454 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.696 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 6.8 m . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.575 0.226 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -64.53 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.696 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 13.5 pt-20 -63.61 -25.29 68.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.95 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 32.2 tt0 -86.77 -42.51 13.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.989 -175.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.37 -36.58 79.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.28 0.562 . . . . 0.0 110.196 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.662 HD23 HG22 ' A' ' 48' ' ' ILE . 58.3 tp -75.71 -29.89 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.673 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 9.7 ptm180 -72.45 -15.27 61.82 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.09 -26.2 62.94 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' ' OE1' ' A' ' 45' ' ' GLU . 26.6 mmtp -87.73 -23.04 24.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.233 -177.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 87.8 mt -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.184 -171.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.4 p -83.85 179.32 7.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.874 174.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.03 -33.02 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.388 0.613 . . . . 0.0 111.079 -170.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.98 -43.04 68.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.364 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.545 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 16.0 mm-40 -62.49 -42.01 99.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 90.1 mttt -58.87 -33.97 71.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.926 0.393 . . . . 0.0 111.181 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.3 m -64.21 -42.11 96.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -84.98 -22.33 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -50.64 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.9 -31.28 68.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.597 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.1 -45.85 93.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.422 ' CD1' HG11 ' A' ' 78' ' ' VAL . 48.9 tp -60.15 -29.63 68.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.995 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -59.77 -41.94 92.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.737 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -78.1 -32.42 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.92 -56.57 19.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.34 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 74.6 mt -64.14 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.35 -44.99 3.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.853 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.4 127.15 46.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.41 -43.33 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.865 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.57 90.28 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.899 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.89 -33.3 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.496 -0.414 . . . . 0.0 110.372 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 54.3 t80 -66.33 -30.22 70.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.045 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.51 ' HA ' HD11 ' A' ' 41' ' ' LEU . 12.8 t70 -54.37 -40.49 68.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.813 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -52.73 -43.62 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.632 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 48' ' ' ILE . 86.6 t80 -69.25 -32.35 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.314 0.578 . . . . 0.0 111.096 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 38' ' ' ASP . 42.8 mt -72.89 -10.1 59.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.086 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.45 24.93 27.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.05 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -106.52 -179.27 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.032 0.444 . . . . 0.0 112.196 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' O ' HG13 ' A' ' 48' ' ' ILE . 37.8 t70 -71.31 140.12 50.17 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.184 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 15' ' ' LYS . 30.9 mt-10 -56.32 -41.08 75.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.491 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.444 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 31.1 t -68.22 -30.64 69.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -81.7 -40.37 22.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.01 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.662 HG22 HD23 ' A' ' 12' ' ' LEU . 69.3 mt -61.58 -54.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.687 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.1 m -73.15 -41.26 64.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.563 0.221 . . . . 0.0 110.574 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.34 85.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.96 -45.62 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.49 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 20.7 t70 -66.17 -28.62 68.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.953 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.01 -48.93 64.38 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.04 -45.69 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.463 0.649 . . . . 0.0 109.356 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 28.1 tttt -57.07 -25.44 58.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -83.02 -53.53 5.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.882 0.372 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.32 -45.03 89.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.265 0.555 . . . . 0.0 111.274 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -65.93 -21.64 66.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.698 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.4 -42.24 14.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.774 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -64.26 -20.79 66.29 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.948 0.404 . . . . 0.0 110.643 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.434 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 35.5 m -84.47 97.59 9.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -151.66 113.81 4.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.593 0.711 . . . . 0.0 109.428 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.88 -133.33 4.24 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.669 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -87.91 -16.26 34.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.609 0.718 . . . . 0.0 110.102 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.44 -11.5 23.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -57.54 -57.09 14.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.564 -169.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.18 -45.8 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.97 -45.85 63.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.12 -40.16 92.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.106 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 68.7 mttm -62.69 -32.12 73.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.794 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 m -75.94 -46.45 29.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 m -70.43 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.455 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.91 -28.23 69.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.969 0.414 . . . . 0.0 110.711 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 93.6 mttt -56.75 -42.35 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.639 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -72.86 -31.82 65.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.067 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.0 m -61.08 -39.55 90.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.336 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 27' ' ' LEU . 86.4 t -62.27 -36.75 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.88 -174.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.6 mp0 -62.95 -35.45 80.17 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.067 0.46 . . . . 0.0 110.667 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.34 -12.52 83.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.75 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.72 19.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.87 33.01 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 p -77.62 50.1 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.535 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.14 -37.71 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.875 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.81 176.15 38.77 Favored Glycine 0 N--CA 1.429 -1.767 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.6 tt -77.75 -19.16 13.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.506 0.669 . . . . 0.0 110.228 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -73.4 98.86 2.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.663 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.99 -4.9 10.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.926 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.19 113.02 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.09 -163.21 16.53 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.09 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -74.58 2.19 10.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.48 -30.64 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -114.2 -59.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.956 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.04 97.17 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.052 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 135.26 50.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.969 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 98' ' ' CYS . 20.8 p -95.82 122.18 38.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.716 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.1 p -78.58 26.17 0.24 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.212 0.53 . . . . 0.0 111.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 96' ' ' THR . 62.2 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.315 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 19.6 m . . . . . 0 C--O 1.234 0.257 0 N-CA-C 111.158 0.059 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.4 mttp -59.0 -37.65 77.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 110.155 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.745 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 11.8 pt-20 -57.1 -44.28 83.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.323 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.541 ' HG3' ' HG3' ' A' ' 9' ' ' GLU . 47.5 mt-10 -74.34 -31.5 62.45 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 8' ' ' LYS . 75.2 mt -64.51 -43.15 94.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.751 172.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.59 HD22 HG23 ' A' ' 48' ' ' ILE . 55.8 tp -66.31 -34.58 78.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.593 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.745 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.7 mtp85 -59.76 -30.25 68.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.769 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.9 mt-10 -70.39 -26.8 63.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.467 . . . . 0.0 110.222 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -93.38 -1.61 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 88.2 mt -110.2 155.14 22.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 111.871 -173.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.558 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 t -71.99 170.91 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.562 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -70.7 -36.28 73.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.526 0.679 . . . . 0.0 110.019 -173.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.78 -38.46 89.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.309 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.4 mm100 -65.33 -38.82 91.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 91.4 mttt -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.661 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.0 m -62.15 -46.95 86.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.932 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -78.64 -13.85 59.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.74 -47.57 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -62.46 -32.14 72.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -66.03 -47.69 73.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 27' ' ' LEU . 2.9 tt -67.08 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.945 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -54.57 -40.12 68.45 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.419 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -80.04 -34.94 37.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -54.26 -49.42 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.323 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.527 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 89.6 mt -80.62 -36.84 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.19 32.17 81.59 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.694 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -150.91 129.57 12.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.66 -53.2 59.41 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.477 0.486 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -41.3 89.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.385 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -72.19 -34.65 68.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.027 0.413 . . . . 0.0 110.944 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.508 ' HA ' HD13 ' A' ' 31' ' ' LEU . 73.1 t80 -73.49 -33.96 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' HD13 ' A' ' 41' ' ' LEU . 12.0 t70 -59.05 -38.68 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.341 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -57.39 -39.26 75.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.506 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.442 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 63.9 t80 -66.51 -36.45 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.206 0.527 . . . . 0.0 110.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 38' ' ' ASP . 21.2 mt -66.72 -17.3 64.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.12 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 14.5 62.04 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.335 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -89.53 -177.43 5.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.486 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' A' ' 47' ' ' LYS . 27.0 t0 -66.21 132.95 49.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.246 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.92 -37.09 63.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -63.7 -36.1 82.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.155 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 58.3 mttm -83.44 -38.21 22.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.059 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.59 HG23 HD22 ' A' ' 12' ' ' LEU . 83.0 mt -60.4 -49.24 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.17 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.4 -37.31 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -66.27 -43.58 86.0 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.528 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -56.46 -53.49 56.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.699 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.79 -39.36 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.554 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.18 -37.79 72.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.781 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.34 -44.82 95.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.453 HG23 ' CE1' ' A' ' 74' ' ' PHE . 78.9 mt -55.67 -48.28 77.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.398 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -58.54 -31.94 68.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 m -74.15 -54.38 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.489 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 26.3 mm-40 -63.7 -47.5 80.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.528 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.84 -28.64 70.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.893 0.378 . . . . 0.0 111.114 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.45 -34.27 77.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 41.6 mtmt -66.57 -19.61 65.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.091 0.472 . . . . 0.0 110.583 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.465 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 29.3 m -86.03 69.96 10.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.494 . . . . 0.0 110.371 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -125.98 17.02 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.641 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.18 -164.56 37.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.435 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -62.18 -37.13 84.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.663 0.268 . . . . 0.0 111.538 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.42 42.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.691 0.758 . . . . 0.0 109.678 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.57 -53.8 36.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.677 -174.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.551 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -68.53 -33.68 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -66.48 -42.56 87.27 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.48 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 13.4 mm100 -63.52 -41.88 98.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 175.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 87.1 mttt -55.31 -47.59 75.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 110.147 175.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 29.7 m -67.0 -35.15 79.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.249 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -76.68 -30.1 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.081 0.467 . . . . 0.0 110.9 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.453 ' CE1' HG23 ' A' ' 55' ' ' ILE . 6.2 t80 -65.05 -30.73 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 88.5 mttt -55.74 -50.18 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.476 172.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -65.54 -33.48 76.02 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.034 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.8 m -59.7 -48.43 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.01 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.59 -35.07 71.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.527 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.4 tm0? -52.59 -47.3 67.01 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.214 0.53 . . . . 0.0 110.468 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.23 21.35 38.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.303 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.69 -51.1 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.01 0.48 24.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.482 0.658 . . . . 0.0 111.514 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 p -86.74 -12.52 47.96 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.41 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.0 4.14 35.81 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.129 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.45 -134.63 6.95 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 tt -170.86 -29.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.716 0.294 . . . . 0.0 110.876 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.91 -34.08 74.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.41 16.6 57.28 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.044 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -81.63 122.99 28.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.37 -145.14 10.03 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.448 ' HA ' HG11 ' A' ' 95' ' ' VAL . 3.1 p -68.08 -4.09 12.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 0.0 111.357 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -80.17 -27.63 38.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -143.85 -27.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.91 101.2 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.448 HG11 ' HA ' ' A' ' 91' ' ' SER . 3.1 m -136.55 144.09 33.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.291 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.537 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 34.9 p -96.1 115.77 27.95 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.241 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.0 p -73.09 56.97 0.46 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.476 0.655 . . . . 0.0 110.118 172.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.537 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 78.2 m . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.852 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 39.0 m . . . . . 0 C--O 1.231 0.129 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.501 ' HB2' HD11 ' A' ' 41' ' ' LEU . 55.0 mttp -51.94 -46.6 64.76 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 123.533 0.521 . . . . 0.0 111.59 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -61.45 -39.78 92.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 -178.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.5 mm-40 -72.82 -42.14 64.14 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 70.2 mt -66.11 -34.69 78.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.593 HD23 HG22 ' A' ' 48' ' ' ILE . 59.4 tp -80.22 -39.86 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HA ' HD11 ' A' ' 16' ' ' LEU . 12.5 ptm180 -65.84 -19.11 65.76 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.636 0.255 . . . . 0.0 110.394 -177.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 51.4 mt-10 -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.767 0.794 . . . . 0.0 109.862 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -96.77 15.19 22.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.37 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 95.3 mt -110.28 163.73 13.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.634 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 3.2 p -81.34 169.75 16.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.8 -33.54 74.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.628 0.727 . . . . 0.0 109.556 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.55 -44.23 96.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.671 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 11.9 mm-40 -66.28 -43.39 86.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 17' ' ' SER . 85.6 mttt -57.92 -35.23 70.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -47.21 79.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.24 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -85.55 -13.48 48.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.03 0.443 . . . . 0.0 111.054 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.1 tm? -62.04 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 171.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.71 -35.66 76.87 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.651 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -59.35 -45.05 92.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.476 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 20.8 mt -64.74 -25.75 68.06 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.75 -34.73 76.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -81.4 -42.66 20.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.838 171.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 27' ' ' LEU . . . -56.04 -55.5 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.924 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.4 mm? -59.36 -31.31 69.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.563 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.64 4.98 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -82.63 120.09 25.11 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 171.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.54 -28.25 69.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 -37.2 94.44 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.381 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HB3' HD13 ' A' ' 31' ' ' LEU . 11.6 mm-40 -72.85 -24.72 60.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.044 0.45 . . . . 0.0 110.935 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 73.8 t80 -75.79 -34.32 60.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.479 -0.564 . . . . 0.0 109.479 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -59.96 -43.72 94.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.51 0.671 . . . . 0.0 109.736 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 52.5 tptt -51.53 -44.51 62.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.829 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 73.0 t80 -62.3 -38.91 91.24 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.918 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 51.0 mt -72.16 -11.63 60.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.133 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.74 35.61 4.63 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.115 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -115.63 178.97 4.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 13.9 t70 -67.41 139.78 57.14 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.31 -42.35 52.54 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.624 0.578 . . . . 0.0 111.336 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -72.63 -33.62 66.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.385 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 44' ' ' ASP . 41.1 mtmt -75.65 -34.94 60.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 12' ' ' LEU . 73.2 mt -62.21 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.958 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.2 mttt -65.29 -37.13 86.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.47 -178.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -65.49 -40.41 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.467 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.27 -53.36 54.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.07 -46.11 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.8 -38.44 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.68 -44.34 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.598 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 51' ' ' ALA . 81.5 mt -53.56 -45.77 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.33 -41.37 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.924 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.1 t -57.7 -48.75 78.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.431 . . . . 0.0 110.808 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.26 -41.88 72.88 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD21 ' HG2' ' A' ' 71' ' ' LYS . 42.4 mt -71.78 -20.59 61.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.298 0.571 . . . . 0.0 110.359 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.72 -28.4 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.482 0.658 . . . . 0.0 109.57 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.21 84.09 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.778 -172.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -131.28 15.89 5.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.064 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -151.08 26.35 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.785 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -81.17 -7.22 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 110.766 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -92.57 -0.27 57.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.749 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -58.53 -62.14 2.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -166.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -41.17 86.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.174 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -69.44 -47.14 64.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.475 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -62.48 -37.18 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.489 ' HG2' HD21 ' A' ' 59' ' ' LEU . 96.9 mttt -57.63 -49.63 75.8 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.312 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 31.3 m -64.62 -39.21 93.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.369 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -76.02 -30.67 58.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.866 0.365 . . . . 0.0 110.755 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.5 ' O ' HG21 ' A' ' 78' ' ' VAL . 8.6 t80 -64.59 -33.56 76.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.854 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 91.7 mttt -52.55 -43.08 64.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.836 175.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -70.64 -36.85 73.64 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.726 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.8 m -65.69 -42.89 90.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.676 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.509 HG11 HD22 ' A' ' 27' ' ' LEU . 62.5 t -68.29 -31.66 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 73.9 mt-30 -55.74 -47.35 77.08 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 110.597 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.85 7.66 53.96 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.312 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.09 -50.79 2.93 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.6 0.238 . . . . 0.0 111.015 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.9 mt -74.19 -33.6 63.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.293 0.568 . . . . 0.0 112.029 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 t -75.59 -27.42 58.52 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.902 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.65 -48.59 5.8 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.648 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.13 116.94 0.42 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.284 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.0 tt -72.96 -12.76 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.576 0.703 . . . . 0.0 110.07 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.53 -17.32 64.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.186 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.29 30.12 4.61 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.424 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -84.1 121.79 27.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.22 -156.34 15.02 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.002 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -77.92 0.4 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.451 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -84.88 -38.28 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -118.34 -12.08 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.19 105.69 5.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.814 0.34 . . . . 0.0 111.286 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.41 149.19 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.65 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 16.8 p -92.93 118.62 31.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 p -71.6 47.24 0.13 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.328 0.585 . . . . 0.0 111.065 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.65 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 84.4 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.02 0.438 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HZ3' ' CG ' ' A' ' 38' ' ' ASP . 98.0 mttt -63.95 -36.08 82.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.924 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.14 -32.11 72.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.724 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.85 -28.6 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.88 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 8' ' ' LYS . 28.6 mt -78.92 -49.67 12.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 175.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 49.8 tp -65.06 -39.68 93.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.857 -175.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptm180 -59.92 -27.68 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 111.187 -176.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.65 -32.51 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 0.0 110.263 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 6.8 mtpm? -95.34 2.11 54.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.444 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 84.9 mt -97.66 177.46 5.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 73.3 p -82.98 -176.51 6.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.9 -41.21 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.186 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -44.3 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.599 0.238 . . . . 0.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.2 mt-30 -57.25 -30.78 64.93 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.5 mttt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 110.633 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 45.9 m80 -70.82 -23.78 62.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.7 mt -62.79 -51.34 67.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 170.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.86 -32.93 73.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.521 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -63.22 -46.46 86.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.862 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.86 -32.28 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HZ2' ' HB2' ' A' ' 28' ' ' LYS . 4.2 ttmp? -56.41 -43.6 79.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.997 175.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.39 -37.56 51.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.127 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.42 94.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.096 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 79' ' ' GLN . 95.2 mt -77.37 -41.7 39.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.399 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.24 13.36 67.3 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.687 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 54.6 t-20 -139.17 129.84 26.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.63 -45.24 89.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.597 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.86 92.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.802 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.683 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 14.4 mm-40 -68.33 -37.41 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.824 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.647 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.5 t80 -74.52 -40.74 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.432 ' CG ' ' HZ3' ' A' ' 8' ' ' LYS . 17.2 t70 -53.06 -45.54 68.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.172 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.683 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 51.2 pttt -62.44 -26.99 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.787 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CE1' HG22 ' A' ' 48' ' ' ILE . 90.5 t80 -69.45 -41.58 76.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 37' ' ' PHE . 2.1 mm? -66.14 -23.39 66.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.324 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.65 42.33 3.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.504 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -127.28 179.37 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.504 ' O ' HG13 ' A' ' 48' ' ' ILE . 26.0 t70 -62.12 128.79 37.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.957 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.46 -36.07 68.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.692 0.282 . . . . 0.0 111.452 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.484 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 40.7 m -73.02 -29.9 63.36 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.246 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.55 -39.92 57.53 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 12' ' ' LEU . 72.4 mt -60.62 -52.34 62.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.218 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HE2' HD21 ' A' ' 16' ' ' LEU . 99.5 mttt -61.1 -34.61 75.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.353 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.6 m -67.97 -45.44 74.19 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.415 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.2 -49.2 77.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.63 -40.48 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.408 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.36 -35.5 75.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.11 -44.87 87.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 51' ' ' ALA . 80.6 mt -52.49 -46.92 48.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 65.7 tttp -58.82 -49.66 76.86 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.645 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -51.49 -36.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.528 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 66.3 mm-40 -87.99 -49.59 6.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.607 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -67.41 -27.4 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.781 0.324 . . . . 0.0 111.663 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 4.0 t70 -70.31 -13.62 62.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.713 -177.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.46 -36.94 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.366 0.603 . . . . 0.0 110.262 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 2.8 m -96.57 99.54 11.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.646 -172.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -125.19 0.65 7.82 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.696 0.284 . . . . 0.0 111.064 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.61 -175.68 48.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.112 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -69.1 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.729 0.412 . . . . 0.0 111.358 -177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.48 -12.23 61.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.654 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -64.71 -23.27 67.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.034 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 17.9 t70 -58.18 -42.11 85.36 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.388 -175.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.47 -32.72 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 110.377 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.41 -31.29 68.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.994 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 78.5 mttt -64.58 -41.04 96.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.507 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 22.0 m -64.51 -31.77 73.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.562 175.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.447 ' HA ' HE21 ' A' ' 76' ' ' GLN . 27.7 m -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.189 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.411 ' O ' HG21 ' A' ' 78' ' ' VAL . 13.1 t80 -63.24 -29.95 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.408 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 88.7 mttt -54.09 -47.14 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.479 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.447 HE21 ' HA ' ' A' ' 73' ' ' THR . 44.4 mt-30 -70.33 -34.99 73.32 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.197 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.448 HG21 ' HA ' ' A' ' 94' ' ' ALA . 26.8 m -60.5 -45.48 93.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.682 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 74' ' ' PHE . 69.1 t -67.69 -39.24 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.508 ' HG2' HD21 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.21 -45.04 84.19 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.252 177.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.55 -27.23 67.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.643 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.95 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.834 0.35 . . . . 0.0 111.08 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.8 mt -77.3 5.42 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.181 0.515 . . . . 0.0 111.475 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -84.29 -21.56 31.0 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.7 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.36 16.73 21.91 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.872 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.46 155.88 12.64 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.575 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -91.21 -17.61 7.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 110.344 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.64 -41.28 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.445 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.97 3.72 85.77 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.108 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -71.17 122.86 20.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.26 -151.32 15.28 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.756 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.1 -0.74 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.406 . . . . 0.0 111.78 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -72.81 -22.0 60.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.723 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -146.17 -48.45 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.801 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HA ' HG21 ' A' ' 77' ' ' THR . . . -83.2 98.5 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.0 111.524 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 58' ' ' GLU . 2.5 m -142.96 149.97 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.469 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.9 p -98.01 114.73 26.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.703 0.764 . . . . 0.0 111.315 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 p -78.72 24.85 0.28 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.939 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.42 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.575 0.226 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -53.82 -42.53 68.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.59 -39.44 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 6.8 mm-40 -69.78 -44.82 69.34 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.25 -37.32 77.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.327 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.8 tp -67.48 -39.85 85.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.371 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 46.4 mtt85 -54.98 -34.14 63.11 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 111.14 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 31.8 mt-10 -69.82 -25.44 63.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' HZ3' ' CD ' ' A' ' 45' ' ' GLU . 5.4 mtpm? -102.01 -3.7 27.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.517 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 56.5 mt -100.03 166.35 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.503 0.668 . . . . 0.0 111.382 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 29.6 t -79.57 174.5 11.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.854 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.07 -36.46 61.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.247 0.546 . . . . 0.0 110.327 -172.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.09 -39.33 86.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.361 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.25 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.81 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.6 mttt -63.76 -40.15 96.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.386 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 m -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.755 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 51.2 m80 -76.69 -16.78 59.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 15.9 mt -68.35 -48.45 64.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.31 -40.0 94.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -64.4 -47.5 78.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.566 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.0 tp -67.22 -32.43 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.004 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.59 -39.59 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.568 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.51 -50.14 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.15 -37.34 64.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.18 -45.24 3.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.748 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -95.54 124.29 39.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 110.712 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.47 -35.91 78.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.696 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.14 -35.18 91.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.557 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -77.83 -27.32 49.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.054 0.454 . . . . 0.0 110.465 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 47.9 t80 -73.42 -33.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.6 t70 -55.97 -43.87 77.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.67 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -51.9 30.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.505 176.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.492 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.6 t80 -63.97 -40.4 96.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 87.3 mt -66.87 -17.42 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.687 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 23.29 36.06 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.772 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -104.98 175.23 5.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.437 . . . . 0.0 111.616 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.37 138.75 58.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.128 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' CD ' ' HZ3' ' A' ' 15' ' ' LYS . 29.6 mt-10 -54.97 -37.04 66.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.834 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -62.75 -36.46 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.318 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.9 -37.96 19.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.243 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.584 HG22 HD23 ' A' ' 12' ' ' LEU . 71.5 mt -60.05 -53.14 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.01 176.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HE2' HD22 ' A' ' 16' ' ' LEU . 98.9 mttt -62.91 -31.25 72.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.671 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -70.04 -45.37 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.9 -42.67 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.1 -38.84 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -65.54 -46.08 80.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.436 HG23 ' CE1' ' A' ' 74' ' ' PHE . 86.5 mt -54.32 -46.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 77.3 tttt -58.07 -33.97 69.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.173 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 m -74.75 -50.36 17.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.511 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.515 ' HA ' ' HZ2' ' A' ' 61' ' ' LYS . 27.4 mm-40 -66.12 -48.36 71.09 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.194 -0.203 . . . . 0.0 111.322 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD13 ' HG2' ' A' ' 71' ' ' LYS . 25.6 tp -58.8 -26.01 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.35 -175.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.9 -29.29 66.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.675 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 58' ' ' GLU . 51.2 mttp -71.22 -26.91 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.81 0.338 . . . . 0.0 111.833 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.0 m -97.37 72.01 2.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.516 . . . . 0.0 110.893 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.64 13.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.01 -144.77 14.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.81 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.05 -29.0 67.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.101 0.477 . . . . 0.0 110.986 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.93 15.82 27.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.096 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -55.4 -67.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -166.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -62.94 -31.14 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.578 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -71.2 -40.75 70.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.6 mm100 -70.59 -34.51 72.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.72 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 90.4 mttt -55.35 -47.44 75.72 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 109.6 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.434 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 29.7 m -62.99 -35.11 79.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.874 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.429 ' HA ' HE21 ' A' ' 76' ' ' GLN . 31.6 m -75.19 -35.21 61.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.138 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.436 ' CE1' HG23 ' A' ' 55' ' ' ILE . 7.5 t80 -64.93 -29.37 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.062 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 97.7 mttt -57.77 -35.66 71.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.186 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.429 HE21 ' HA ' ' A' ' 73' ' ' THR . 48.2 mt-30 -75.08 -36.02 61.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.9 m -63.4 -46.22 87.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.725 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 74' ' ' PHE . 61.1 t -59.62 -35.59 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -56.22 -43.78 78.89 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 111.051 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.37 -18.37 79.95 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.157 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.504 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . . . -73.87 -54.85 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.584 0.231 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 82' ' ' LEU . 2.7 mm? -75.77 -0.95 22.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.302 0.572 . . . . 0.0 111.585 -178.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -77.41 -24.42 50.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.398 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.61 25.67 20.48 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.2 134.87 5.79 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.719 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 tt -65.51 -19.89 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.288 0.566 . . . . 0.0 110.752 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.92 -16.53 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.72 20.54 36.41 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -85.85 119.31 26.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.32 -163.4 28.23 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.271 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 m -73.63 5.95 3.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.45 . . . . 0.0 111.454 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -93.31 -19.73 21.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 110.634 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 28.1 p-10 -137.83 -37.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.693 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.48 96.31 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.566 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.16 147.57 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 111.331 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.499 HG21 ' HB3' ' A' ' 58' ' ' GLU . 8.3 p -89.26 108.72 19.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.114 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.5 p -81.53 29.28 0.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.661 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 58.6 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.024 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.25 -44.29 75.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.43 -35.8 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.503 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 4.8 mm-40 -71.61 -17.02 62.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.551 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -99.32 -43.48 6.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.139 0.495 . . . . 0.0 109.993 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.713 HD21 HG23 ' A' ' 48' ' ' ILE . 59.9 tp -64.3 -40.65 96.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.953 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.503 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 8.0 ptm180 -60.82 -29.66 69.61 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.37 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.99 -32.77 71.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -85.54 -1.88 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.585 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.6 mt -95.71 176.72 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.194 0.521 . . . . 0.0 111.537 -176.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.659 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.9 m -88.13 169.44 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.665 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.53 -35.29 75.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.421 . . . . 0.0 110.416 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.43 -56.68 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 82.5 mt-30 -58.77 -36.95 75.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.105 -173.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.4 mttt -59.98 -37.84 80.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.037 0.446 . . . . 0.0 110.928 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 m -70.61 -36.06 73.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.491 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 49.1 m80 -77.06 -21.13 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.318 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.548 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 4.4 mt -62.93 -47.08 84.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 33.1 t70 -63.36 -41.5 98.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.14 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.09 -49.42 77.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.79 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.134 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.45 -52.83 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 25.3 mm-40 -62.9 -39.49 94.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.872 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.6 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 79' ' ' GLN . 94.1 mt -75.95 -43.51 44.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.206 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.45 -61.43 4.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.319 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -68.45 132.08 46.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.082 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.99 73.13 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.354 -176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.58 -34.71 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.393 -0.475 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.633 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 32.6 t80 -72.79 -38.69 67.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.527 ' HA ' HD13 ' A' ' 41' ' ' LEU . 14.8 t70 -58.41 -38.89 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.995 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -51.22 -53.54 34.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.356 176.371 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CE2' HG21 ' A' ' 48' ' ' ILE . 84.4 t80 -63.17 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.932 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 73.6 mt -65.83 -15.43 62.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.761 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.63 13.7 63.81 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.676 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 25.6 m-85 -93.05 -178.22 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 0.0 111.697 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 48' ' ' ILE . 14.9 t70 -72.26 136.62 46.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.116 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.56 -37.59 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.071 0.232 . . . . 0.0 111.322 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -68.07 -32.4 72.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.995 0.426 . . . . 0.0 110.238 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.47 -37.96 22.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.126 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.713 HG23 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -60.5 -50.92 78.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.224 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HE2' HD23 ' A' ' 16' ' ' LEU . 97.6 mttt -66.06 -33.91 76.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.247 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -67.71 -42.41 82.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.511 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.56 -48.11 82.49 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.13 -41.04 97.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.639 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.44 -40.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -62.11 -44.03 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.5 mt -50.67 -48.56 27.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.798 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 56.8 tttm -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.843 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 m -57.31 -43.95 83.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.525 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 31.7 mm-40 -69.63 -45.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.05 177.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.22 -34.74 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -25.86 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.429 -177.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 53.0 mttm -68.37 -28.66 67.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.269 0.557 . . . . 0.0 110.575 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 3.8 m -89.34 87.58 7.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.913 -173.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -140.26 103.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.843 0.83 . . . . 0.0 109.144 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.428 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 167.02 -160.38 34.05 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.715 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -69.8 -27.63 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.292 0.546 . . . . 0.0 111.684 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.1 m-20 -93.36 0.65 56.98 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB3' ' H ' ' A' ' 64' ' ' GLY . . . -55.54 -43.56 75.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.13 -48.09 71.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.505 0.669 . . . . 0.0 110.953 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -72.27 -45.05 61.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.456 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.605 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.1 mm100 -60.54 -45.63 93.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.311 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.57 -39.92 95.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 0.0 110.19 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -64.27 -47.08 80.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.091 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.2 m -70.18 -24.47 63.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 111.117 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 t80 -66.69 -30.78 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 93.4 mttt -56.02 -39.51 72.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -71.31 -39.77 71.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.462 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.4 m -60.45 -48.18 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.774 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.2 t -63.65 -34.06 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.5 ' HG2' HD22 ' A' ' 31' ' ' LEU . 63.9 mt-30 -55.52 -38.65 69.51 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.75 6.62 83.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.95 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.688 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -97.23 -55.78 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.688 HD21 ' HB1' ' A' ' 81' ' ' ALA . 1.4 mm? -88.89 24.57 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.629 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -64.79 -35.59 81.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.167 0.508 . . . . 0.0 110.047 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.25 72.17 0.1 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.982 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.87 108.4 0.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.113 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.0 tt -91.3 -22.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.72 103.16 8.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.16 -10.79 6.19 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -171.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' A' ' 82' ' ' LEU . 13.5 t80 -66.14 115.43 6.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' A' ' 92' ' ' ASN . . . -179.79 -152.19 10.57 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -75.04 13.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.009 0.433 . . . . 0.0 111.539 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 90' ' ' GLY . 12.8 m120 -99.75 -40.23 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -119.8 -13.75 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.68 98.02 3.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.727 0.298 . . . . 0.0 110.75 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.455 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 4.0 m -136.93 144.29 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.701 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 21.0 p -97.79 115.84 28.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 171.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -75.31 51.92 0.58 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.447 0.641 . . . . 0.0 110.228 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.701 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 74.6 m . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.885 -172.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -59.62 -25.21 64.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.849 -0.159 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.02 -38.58 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.298 177.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -72.57 -28.11 62.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.007 0.432 . . . . 0.0 110.415 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.84 -33.48 64.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.0 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.596 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.0 tp -71.13 -32.02 68.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.592 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 49.3 mtt180 -56.65 -34.14 67.02 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.77 -24.7 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.861 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.996 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 74.5 mt -102.5 175.02 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 112.019 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.0 p -96.12 -176.78 3.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.288 171.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.6 -36.21 65.48 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.299 0.571 . . . . 0.0 110.732 -169.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -65.9 -43.82 87.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.334 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 94.3 mt-30 -66.45 -36.15 82.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 87.5 mttt -62.25 -31.11 71.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.084 0.469 . . . . 0.0 110.462 176.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -70.52 -37.49 74.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.106 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.674 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 38.5 m80 -70.49 -29.71 66.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.109 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 24' ' ' LEU . 15.4 mt -61.3 -49.3 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 173.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.74 -47.18 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.62 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -59.73 -50.95 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.694 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.89 -35.55 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -55.45 -49.62 71.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.385 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -77.99 -30.09 49.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.752 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.54 -51.86 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.519 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.57 -38.01 77.2 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.125 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.2 -1.08 61.34 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.586 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -132.07 115.52 15.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 1.5 m-20 -63.76 -21.28 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.047 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.55 -47.71 33.15 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.751 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.66 -37.77 70.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.324 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.72 -35.46 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 20.4 t70 -58.45 -39.07 78.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.141 0.496 . . . . 0.0 110.902 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.85 -32.27 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.256 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CE2' HG22 ' A' ' 48' ' ' ILE . 72.0 t80 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.13 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 9' ' ' GLU . 2.6 mm? -70.41 -27.16 64.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.22 3.24 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.15 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.17 -177.3 4.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.522 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 39.2 t0 -68.59 129.33 39.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.61 174.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -52.79 -35.64 57.03 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.215 0.322 . . . . 0.0 110.789 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -64.96 -39.48 93.55 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.044 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 38.0 mttp -76.45 -38.36 55.54 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.305 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.603 HG22 ' CE2' ' A' ' 40' ' ' PHE . 73.4 mt -59.63 -55.16 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.005 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HE2' HD21 ' A' ' 16' ' ' LEU . 96.5 mttt -65.54 -31.74 72.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.62 -177.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -72.54 -39.46 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.21 -47.9 84.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 177.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.67 -42.94 97.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.074 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 9.1 t70 -69.75 -27.71 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -177.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.38 -47.65 69.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.479 HG23 HD23 ' A' ' 59' ' ' LEU . 76.6 mt -53.6 -43.38 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.674 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 80.6 tttt -56.56 -48.74 76.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.259 176.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.9 m -64.92 -44.35 89.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.627 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 37.1 mm-40 -61.7 -41.46 97.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -61.64 -29.81 70.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.557 178.368 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -74.33 -22.51 59.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.627 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 46.4 mtpt -73.41 -27.45 61.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.66 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 5.9 m -98.07 100.85 12.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -139.83 24.41 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.658 0.266 . . . . 0.0 111.617 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.22 -152.22 28.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.568 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -78.25 -16.19 58.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.637 0.732 . . . . 0.0 109.652 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.0 p-10 -98.81 9.93 42.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.126 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.21 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.981 0.419 . . . . 0.0 111.707 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.88 -34.13 74.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.43 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -72.77 -39.05 67.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.2 mm100 -68.41 -33.53 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.465 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.68 -33.98 68.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.257 0.551 . . . . 0.0 110.149 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.549 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 34.8 m -79.45 -40.69 29.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.009 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.5 m -69.18 -32.25 71.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.113 0.483 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.452 ' O ' HG22 ' A' ' 78' ' ' VAL . 16.6 t80 -65.28 -24.01 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.971 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 72' ' ' THR . 94.9 mttt -59.59 -39.28 83.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.319 0.581 . . . . 0.0 110.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.23 -35.5 71.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.201 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.1 m -60.35 -47.67 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.55 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 74' ' ' PHE . 56.8 t -64.87 -35.62 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.079 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -54.92 -37.27 66.17 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 111.165 175.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.72 -20.32 51.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.67 -40.97 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.658 0.266 . . . . 0.0 111.466 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.1 mt -91.6 36.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.447 . . . . 0.0 110.428 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -77.37 38.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.841 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.13 -11.81 10.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.822 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.27 129.5 6.1 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.779 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.54 -26.42 3.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.865 0.364 . . . . 0.0 110.799 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.84 -16.89 60.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.613 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.21 10.65 54.85 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -85.94 121.64 28.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.004 0.43 . . . . 0.0 109.967 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.11 -148.84 15.3 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.327 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 t -68.37 -1.38 6.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -81.57 -26.87 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -146.3 -21.33 0.44 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -129.61 104.67 7.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.53 143.46 36.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.66 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 8.7 p -79.95 101.38 8.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.571 0.701 . . . . 0.0 110.432 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.6 t -78.62 35.44 0.24 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.951 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.436 ' H ' ' C ' ' A' ' 96' ' ' THR . 35.7 m . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.214 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HG3' ' OD2' ' A' ' 38' ' ' ASP . 27.6 mmtp -47.36 -45.69 25.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.199 0.523 . . . . 0.0 111.042 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' A' ' 41' ' ' LEU . 7.2 pt-20 -58.03 -45.11 87.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.417 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 3.6 mm-40 -67.8 -38.15 82.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -175.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 68.0 mt -59.9 -36.43 76.96 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.47 0.481 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.877 HD21 HG23 ' A' ' 48' ' ' ILE . 52.4 tp -83.42 -36.94 23.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.791 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 20.1 mtp180 -60.23 -24.55 64.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.26 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.0 mt-10 -58.5 -35.84 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.405 0.621 . . . . 0.0 110.113 173.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -103.1 11.77 36.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.292 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 89.9 mt -117.9 166.26 12.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.623 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 52.5 p -87.95 175.59 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.23 -36.24 83.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 110.012 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.53 -54.15 47.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.517 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.2 mt-30 -65.18 -31.53 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.959 -173.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' A' ' 17' ' ' SER . 89.5 mttt -65.5 -38.06 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.6 m -70.67 -36.1 73.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -71.44 -20.98 62.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 24' ' ' LEU . 15.6 mt -70.68 -44.31 67.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.08 -34.58 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.062 0.458 . . . . 0.0 110.07 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.64 -47.79 77.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.337 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 HG12 ' A' ' 78' ' ' VAL . 3.4 mt -63.6 -33.02 74.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.288 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.23 -40.9 78.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.567 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.44 -35.46 46.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.732 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -56.41 -56.79 16.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 4.0 mm? -64.27 -38.07 89.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.327 173.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.75 24.42 75.49 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -159.76 124.0 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.9 -32.51 73.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.998 0.427 . . . . 0.0 110.028 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.98 -36.56 91.16 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 178.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -79.29 -33.88 42.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.57 ' O ' HD23 ' A' ' 41' ' ' LEU . 21.8 t80 -69.3 -35.29 75.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.562 ' OD2' ' HG3' ' A' ' 8' ' ' LYS . 25.0 t70 -50.04 -42.51 49.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.19 174.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.5 tpmt? -52.12 -34.45 44.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.65 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 48' ' ' ILE . 88.0 t80 -73.52 -39.13 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.339 0.59 . . . . 0.0 110.246 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.8 mm? -66.03 -26.63 67.61 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.953 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.69 37.16 3.38 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.759 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -117.92 -174.29 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.234 0.54 . . . . 0.0 111.007 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 48' ' ' ILE . 33.3 t70 -74.29 135.44 42.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.512 178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -55.66 -41.33 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.142 0.276 . . . . 0.0 111.436 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.464 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 19.1 m -69.36 -27.52 65.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.649 0.261 . . . . 0.0 110.385 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.63 -39.86 21.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.062 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.877 HG23 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -61.44 -50.61 79.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.536 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.42 -35.42 79.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.7 m -69.48 -42.13 75.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.582 176.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.8 -47.58 84.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.25 -39.61 89.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -46.78 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.338 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 51' ' ' ALA . 73.6 mt -54.05 -49.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.162 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.36 -47.63 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.957 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.565 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -56.8 -55.54 33.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.794 -176.659 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.589 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 70.7 mm-40 -58.65 -49.57 77.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.215 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 71' ' ' LYS . 10.4 tp -65.61 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.163 -174.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.84 -25.4 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.901 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.589 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 7.7 mtmp? -79.03 -2.56 40.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 83.0 m -84.57 89.42 7.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.699 0.762 . . . . 0.0 111.143 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -137.77 100.89 4.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.824 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.23 -152.19 11.83 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.381 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -77.26 -40.37 44.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.852 0.358 . . . . 0.0 111.522 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -103.76 29.13 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.493 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.4 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.648 0.261 . . . . 0.0 111.421 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.12 -38.97 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.417 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -72.53 -42.5 64.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.1 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.87 -40.43 95.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.964 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.515 ' HA ' HD13 ' A' ' 59' ' ' LEU . 99.7 mttt -66.26 -19.83 65.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.469 . . . . 0.0 110.875 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 m -88.83 -44.05 10.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -69.85 -28.5 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.371 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.43 ' CD1' HD11 ' A' ' 59' ' ' LEU . 5.1 t80 -59.25 -27.76 66.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.577 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 95.5 mttt -58.24 -44.53 88.33 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 22.5 mt-30 -70.71 -35.0 72.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -59.62 -46.59 88.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG12 HD23 ' A' ' 27' ' ' LEU . 58.0 t -67.43 -33.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 8.8 mm-40 -54.72 -50.28 68.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.873 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.65 -19.87 75.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.938 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 94' ' ' ALA . . . -75.86 -39.31 56.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.4 mt -78.26 -5.83 53.17 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.546 0.689 . . . . 0.0 110.252 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -82.97 58.91 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.605 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -14.02 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.436 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.36 142.96 7.14 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -68.16 -24.64 30.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.236 0.541 . . . . 0.0 110.232 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.62 95.99 7.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.5 -11.5 6.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -63.89 116.5 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.05 -160.25 23.17 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.889 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.442 ' HA ' HG13 ' A' ' 95' ' ' VAL . 13.7 p -68.59 -5.37 19.51 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -85.64 -9.85 56.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.398 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -148.33 -32.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.736 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . . . -115.96 102.26 9.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 111.079 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 91' ' ' SER . 2.7 m -136.58 154.54 32.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.142 0.496 . . . . 0.0 111.344 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.563 ' C ' ' H ' ' A' ' 98' ' ' CYS . 40.7 p -97.52 125.8 42.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 165.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -74.03 30.74 0.08 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.826 0.822 . . . . 0.0 110.371 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.588 ' HB3' ' HA ' ' A' ' 62' ' ' CYS . 92.3 m . . . . . 0 N--CA 1.446 -0.631 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.928 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.07 -37.95 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 41' ' ' LEU . 7.6 pt-20 -62.87 -32.95 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.708 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 44.4 mt-10 -72.14 -55.51 7.18 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.336 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.503 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 75.0 mt -58.58 -38.77 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.129 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 61.3 tp -69.76 -37.26 76.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.023 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 4.6 ptm180 -77.87 -14.55 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.815 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.7 mt-10 -70.58 -25.38 63.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.466 0.65 . . . . 0.0 109.332 173.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.981 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 13' ' ' ARG . 93.9 mt -107.36 155.46 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.002 -175.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.59 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.1 p -79.21 178.81 7.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.34 -37.2 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.25 0.547 . . . . 0.0 110.215 -169.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -64.5 -45.69 86.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.39 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.1 mm100 -65.4 -32.26 73.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.667 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 17' ' ' SER . 98.2 mttt -63.91 -35.64 81.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.098 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.6 m -66.67 -48.62 68.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.2 m80 -70.67 -21.4 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.062 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.19 -51.57 65.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.4 t70 -65.25 -38.92 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.517 177.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 88.9 t90 -58.25 -44.2 88.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.608 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.04 -30.73 71.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 37' ' ' PHE . 2.9 ttmt -60.83 -48.11 83.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.307 175.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.77 -38.36 88.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.24 -49.1 75.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.409 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD22 ' HG2' ' A' ' 79' ' ' GLN . 90.3 mt -74.87 -30.58 61.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.87 -61.22 4.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.42 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.402 HD21 ' HG2' ' A' ' 36' ' ' GLU . 44.3 t30 -80.29 126.42 31.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.78 -34.15 71.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.198 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.26 99.59 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.602 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' HD21 ' A' ' 33' ' ' ASN . 13.2 mm-40 -75.62 -28.14 58.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 40.8 t80 -73.44 -36.7 65.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.874 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.519 ' HA ' HD13 ' A' ' 41' ' ' LEU . 12.3 t70 -57.9 -37.73 74.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.121 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 4.4 tppp? -50.0 -46.92 53.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.642 176.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 84.4 t80 -67.99 -33.32 74.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 38' ' ' ASP . 56.5 mt -74.69 2.83 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.005 -175.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.96 36.48 2.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.196 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 16.1 m-85 -112.61 -177.73 3.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.272 0.558 . . . . 0.0 112.267 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.548 ' O ' HG13 ' A' ' 48' ' ' ILE . 23.4 t70 -66.14 131.69 46.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.354 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 12.1 mt-10 -55.54 -38.93 69.92 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 111.61 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -72.97 -34.05 66.24 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.288 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 86' ' ' ILE . 64.0 mttp -70.95 -39.5 72.57 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 44' ' ' ASP . 59.7 mt -60.1 -50.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.346 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 33.4 mmtp -57.24 -47.27 81.77 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.559 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.3 m -58.23 -46.13 86.47 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.75 -50.66 73.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.56 -47.31 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.555 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.57 -38.01 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.049 0.452 . . . . 0.0 110.77 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.49 -47.69 77.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.196 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.0 mt -54.18 -45.33 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.107 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.2 -45.16 91.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.0 p -66.36 -44.86 82.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 96' ' ' THR . 62.1 mm-40 -62.24 -43.57 98.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.406 . . . . 0.0 111.016 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.76 -25.75 68.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.36 -17.05 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.37 -36.59 39.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.54 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 8.3 m -90.88 83.05 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 -171.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.401 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 61.8 m-80 -140.21 80.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.126 0.488 . . . . 0.0 110.704 176.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -143.37 -149.86 5.18 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 173.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.66 -27.17 67.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.488 . . . . 0.0 111.016 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.11 20.08 19.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.395 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -58.93 -54.7 44.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.979 0.419 . . . . 0.0 110.986 -173.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.51 -38.47 81.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.015 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -71.63 -46.35 59.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.392 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.612 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 15.1 mm100 -63.76 -41.24 98.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.174 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 65.2 mttm -59.9 -43.16 94.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.097 0.475 . . . . 0.0 110.087 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.539 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 64.5 m -70.28 -27.67 64.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.403 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 44.0 m -74.28 -37.61 63.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.126 176.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.483 ' O ' HG22 ' A' ' 78' ' ' VAL . 15.6 t80 -63.12 -30.95 72.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.453 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.539 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 92.5 mttt -53.9 -42.11 68.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.166 0.508 . . . . 0.0 110.426 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 39.0 mt-30 -74.43 -34.25 63.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.382 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.3 m -62.87 -49.05 76.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 74' ' ' PHE . 61.0 t -64.39 -36.47 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.495 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.485 ' HG2' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.44 -38.46 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.156 0.503 . . . . 0.0 110.894 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.96 6.23 82.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.767 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -97.34 -49.79 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.839 0.319 . . . . 0.0 111.453 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 81' ' ' ALA . 2.3 mm? -86.21 9.4 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.439 . . . . 0.0 111.677 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -67.64 -34.8 77.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.388 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.71 30.15 4.27 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.347 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.67 169.73 12.72 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.888 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.523 HG23 ' HD3' ' A' ' 47' ' ' LYS . 15.0 tt -118.58 -2.48 9.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.496 0.665 . . . . 0.0 109.932 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.46 -40.63 85.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.422 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.66 25.3 28.54 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.291 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 82' ' ' LEU . 13.2 t80 -83.78 126.88 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.22 -149.58 15.74 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.577 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -72.91 -0.99 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.031 0.443 . . . . 0.0 110.747 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.81 -29.13 24.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.984 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -134.0 -33.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.71 94.07 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.38 142.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.596 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 6.6 p -73.64 108.4 6.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.157 0.503 . . . . 0.0 110.764 172.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 p -74.44 61.11 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.624 172.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 62.9 m . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.833 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -62.82 -29.09 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.263 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.2 pt-20 -65.16 -39.97 93.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 2.0 mp0 -57.55 -35.47 70.38 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 110.637 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 mt -79.36 -42.38 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.326 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.725 HD22 HG23 ' A' ' 48' ' ' ILE . 61.6 tp -66.75 -40.34 88.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.604 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 23.0 mtp180 -61.46 -27.36 68.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.026 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 42.6 mt-10 -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -98.49 -5.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 97.4 mt -92.1 164.53 13.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.383 . . . . 0.0 111.079 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.601 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 55.0 p -85.89 178.7 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.035 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -58.61 -48.4 81.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.204 0.526 . . . . 0.0 110.751 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.28 -52.76 64.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.208 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 94.9 mttt -66.89 -46.11 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -77.15 -35.96 55.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 19.2 m80 -66.7 -23.9 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.384 . . . . 0.0 110.76 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.511 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 25.0 tp -69.97 -38.78 76.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.694 177.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.97 -48.21 82.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 172.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -53.56 -47.53 69.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.195 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 31' ' ' LEU . 52.4 tp -58.06 -49.37 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.586 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 23.6 ttpt -56.5 -49.95 73.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.351 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.96 -34.72 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.937 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 -55.6 19.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.91 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 mp -60.84 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.71 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 -63.2 2.39 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.666 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -77.51 132.3 38.32 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.824 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -59.04 -33.75 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.195 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.69 -36.85 93.86 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.691 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.79 -39.99 29.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.995 0.426 . . . . 0.0 110.106 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 28' ' ' LYS . 20.1 t80 -64.37 -34.74 78.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.665 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.47 -50.53 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.556 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.15 -39.74 66.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.384 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 79.8 t80 -68.57 -40.87 80.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.145 0.498 . . . . 0.0 111.273 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 67.9 mt -65.75 -19.09 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.788 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.55 31.25 8.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.023 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 14.0 m-85 -103.0 -177.62 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.208 0.528 . . . . 0.0 111.728 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.64 133.43 49.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.041 175.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -57.34 -42.23 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -62.49 -23.75 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.17 -40.93 11.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.725 HG23 HD22 ' A' ' 12' ' ' LEU . 79.4 mt -60.75 -53.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.351 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.1 -38.26 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.212 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.4 m -67.29 -40.52 86.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.618 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.7 -47.94 83.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.762 0.315 . . . . 0.0 110.664 177.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.53 -43.14 94.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.31 -29.12 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 0.0 111.063 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.84 -43.08 80.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 51' ' ' ALA . 86.3 mt -54.35 -49.02 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.412 0.625 . . . . 0.0 109.758 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 25.7 tttm -56.74 -39.36 73.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.176 175.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 m -63.69 -46.43 85.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.976 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.74 -40.76 72.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.473 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.69 -25.26 67.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.7 -25.57 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.506 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -74.9 -29.37 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.702 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 3.2 m -109.76 93.55 4.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.533 -173.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HA ' ' HB1' ' A' ' 67' ' ' ALA . 63.3 m-80 -142.24 29.47 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.05 -131.55 7.35 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.389 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -82.21 -6.34 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.845 0.831 . . . . 0.0 109.523 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -98.32 -6.58 30.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.502 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.505 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -55.94 -61.84 2.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.067 -166.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.58 -31.05 71.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.415 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -78.96 -46.83 17.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.194 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.43 -35.94 80.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 65.5 mttm -65.17 -24.39 67.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -83.29 -39.06 21.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.659 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 m -68.65 -36.71 78.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -64.14 -27.55 69.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.76 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 95.0 mttt -55.83 -42.77 76.24 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.133 0.492 . . . . 0.0 110.77 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -70.9 -35.32 72.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.858 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.8 m -66.07 -54.48 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.928 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.52 -36.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 75' ' ' LYS . 13.1 tm0? -48.78 -48.63 41.03 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.17 -18.63 79.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.567 -176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB2' HD22 ' A' ' 82' ' ' LEU . . . -70.05 -57.15 5.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.766 0.317 . . . . 0.0 111.44 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD22 ' HB2' ' A' ' 81' ' ' ALA . 1.9 mm? -79.76 -5.7 55.83 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.195 0.521 . . . . 0.0 112.133 -173.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.506 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -41.76 7.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.306 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.2 143.45 3.73 Favored Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.61 -12.66 10.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.516 0.674 . . . . 0.0 109.623 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.29 -21.63 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.529 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.06 25.78 7.73 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.087 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.483 ' CD2' HD12 ' A' ' 82' ' ' LEU . 23.7 t80 -81.23 136.59 35.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.403 0.62 . . . . 0.0 109.758 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -153.74 24.97 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.929 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -69.97 -2.48 12.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 0.0 110.706 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -70.63 -39.75 73.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.542 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -116.53 -58.3 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.938 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.78 96.97 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.86 136.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.017 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.702 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 2.2 p -79.6 103.84 9.79 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.894 175.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -71.39 65.28 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.53 0.681 . . . . 0.0 110.955 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.179 179.11 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -51.85 -44.51 63.67 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 123.529 0.518 . . . . 0.0 111.067 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.438 ' CD ' ' HZ3' ' A' ' 28' ' ' LYS . 7.9 pt-20 -58.24 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 1.8 tm-20 -77.86 -45.85 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.941 -178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 31.2 mt -64.82 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.537 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.628 HD22 HG23 ' A' ' 48' ' ' ILE . 61.6 tp -71.17 -42.46 69.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.15 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.604 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptp180 -67.99 -16.9 64.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.807 -177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.6 mt-10 -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.133 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.66 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 6.1 mtpm? -91.51 -6.5 52.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.408 -177.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.0 mt -90.5 155.8 18.64 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.376 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.8 t -73.5 164.84 26.11 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.37 -27.36 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.118 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.81 -27.83 66.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.424 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.505 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 46.0 mt-30 -84.53 -30.84 24.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.2 mttt -61.63 -35.91 79.26 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.899 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -63.02 -40.64 98.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.049 0.452 . . . . 0.0 111.286 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.507 ' CD2' HD12 ' A' ' 59' ' ' LEU . 59.1 m80 -80.43 -17.17 52.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 35.3 tp -65.89 -49.8 66.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.35 -31.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 90.5 t90 -60.65 -43.99 96.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.935 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.99 -32.2 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HZ3' ' CD ' ' A' ' 9' ' ' GLU . 39.4 ttmt -59.13 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.175 0.512 . . . . 0.0 110.234 176.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.69 -36.91 79.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.77 80.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 37' ' ' PHE . 72.5 mt -73.87 -29.4 62.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.693 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.63 5.61 64.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.54 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -144.2 119.33 10.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.33 -23.0 66.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -72.76 -39.88 54.21 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.275 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.723 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 44.7 mt-10 -79.95 -27.92 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.306 0.574 . . . . 0.0 110.036 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.486 ' HA ' HD13 ' A' ' 31' ' ' LEU . 33.7 t80 -69.36 -26.15 64.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.47 0.652 . . . . 0.0 109.785 173.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.4 t70 -61.29 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.313 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 ptmt -56.51 -35.89 68.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.063 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.433 ' CE2' HG21 ' A' ' 48' ' ' ILE . 83.3 t80 -69.24 -35.07 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.197 0.522 . . . . 0.0 110.347 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 50.9 mt -73.02 -7.0 49.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.505 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.58 10.48 42.04 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.125 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 13.1 m-85 -89.5 178.22 6.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.905 0.383 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' O ' HG13 ' A' ' 48' ' ' ILE . 15.5 t70 -71.52 141.39 50.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.454 ' CD ' ' HZ3' ' A' ' 15' ' ' LYS . 2.4 mt-10 -56.14 -38.44 70.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.257 0.348 . . . . 0.0 111.241 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.9 m -67.49 -32.28 72.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.458 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 62.6 mttm -79.58 -40.9 28.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.628 HG23 HD22 ' A' ' 12' ' ' LEU . 78.7 mt -59.78 -51.66 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.847 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.51 -39.08 92.37 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.809 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.8 m -61.2 -44.12 97.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.565 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.38 -53.07 58.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.17 -42.25 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.728 -176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.31 -33.6 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 109.982 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.83 -48.08 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.894 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 51' ' ' ALA . 82.8 mt -53.07 -46.83 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 175.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 15.2 ttpt -57.62 -45.06 85.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.145 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.529 ' CD ' ' HZ3' ' A' ' 61' ' ' LYS . 53.4 mm-40 -65.59 -46.54 79.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD12 ' CD2' ' A' ' 23' ' ' HIS . 48.4 mt -64.2 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.59 0.233 . . . . 0.0 111.506 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.92 -22.55 66.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.38 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HZ3' ' CD ' ' A' ' 58' ' ' GLU . 92.1 mttt -74.8 -17.11 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 1.2 m -117.91 93.61 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.572 . . . . 0.0 111.779 -175.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -126.26 93.92 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.771 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.6 -170.98 44.15 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.746 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.68 -55.54 6.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.432 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.16 -28.68 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.504 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -62.73 -27.02 68.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.536 -177.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.69 -44.08 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.371 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.95 -39.44 93.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.393 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.13 -43.64 98.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.45 -36.37 76.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.6 m -66.24 -37.79 86.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.495 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -69.94 -31.52 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.429 ' O ' HG21 ' A' ' 78' ' ' VAL . 30.3 t80 -64.33 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.257 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.83 -38.43 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.521 ' HA ' ' HB2' ' A' ' 79' ' ' GLN . 45.2 mt-30 -77.93 -28.71 49.71 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.636 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -65.01 -47.44 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.754 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 74' ' ' PHE . 82.7 t -62.15 -35.07 66.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.25 174.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 5.1 mm-40 -56.09 -36.75 68.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.305 174.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.09 -0.05 88.9 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.381 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.591 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -94.69 -65.65 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.577 0.227 . . . . 0.0 111.524 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.591 HD22 ' HB1' ' A' ' 81' ' ' ALA . 2.1 mm? -75.85 -1.78 26.93 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -75.95 -38.08 57.94 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.564 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.42 -38.69 7.58 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.07 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.64 152.85 7.05 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.973 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.06 -20.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.044 0.45 . . . . 0.0 110.564 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.89 -10.35 59.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.0 109.863 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.11 10.59 43.92 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.387 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -81.46 120.58 25.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 -161.96 25.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.212 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 p -73.78 -2.84 25.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 111.516 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.21 -36.82 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.518 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -121.21 -13.34 8.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.02 104.74 5.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 111.338 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.09 153.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.546 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.727 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 18.6 p -101.27 113.35 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 110.487 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 p -76.9 53.44 0.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.467 0.651 . . . . 0.0 111.069 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . 0.727 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 63.3 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.841 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.502 ' HG ' ' CD ' ' A' ' 9' ' ' GLU . 13.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.61 -39.4 73.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' CD ' ' HG ' ' A' ' 7' ' ' SER . 4.5 pm0 -64.03 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.212 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 35.3 mt-10 -72.0 -28.96 63.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 120.699 0.285 . . . . 0.0 110.805 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 56.8 mt -76.09 -38.44 56.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 175.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD21 HG21 ' A' ' 48' ' ' ILE . 65.7 tp -68.65 -41.19 79.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.172 -178.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.543 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.6 -16.37 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.504 -177.279 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.4 mt-10 -72.35 -29.83 64.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -98.22 2.95 48.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.931 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.778 HD21 ' HZ2' ' A' ' 49' ' ' LYS . 57.7 mt -96.85 172.41 7.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.614 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.4 m -80.84 170.9 15.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.458 173.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.94 -36.9 85.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.309 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 -48.23 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.769 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm100 -58.38 -32.76 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.585 -177.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.4 mttt -58.18 -41.47 83.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.106 0.479 . . . . 0.0 111.034 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -71.92 -40.46 68.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.777 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 39.4 m80 -70.3 -28.34 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.15 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -51.96 65.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.279 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 22.7 t70 -70.23 -30.58 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.171 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -56.65 -46.98 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 174.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD13 HG13 ' A' ' 78' ' ' VAL . 43.5 tp -62.71 -36.43 82.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.516 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -58.41 -47.33 84.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.159 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 37.0 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.686 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.91 91.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.865 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.38 -45.65 30.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.57 12.55 83.66 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.258 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -139.05 124.18 19.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 5.0 p-10 -64.79 -36.04 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.66 -42.54 93.27 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 113.042 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -71.62 -39.26 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 110.446 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -69.7 -29.69 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.874 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 15.8 t70 -57.39 -44.47 84.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.878 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.45 -38.39 77.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.024 -178.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.34 -38.04 86.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.546 . . . . 0.0 110.33 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.88 -9.07 57.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.095 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.75 21.63 45.0 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.189 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.94 -177.07 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.269 0.556 . . . . 0.0 111.649 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.52 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 50.5 t0 -73.54 129.49 38.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.134 174.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.713 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 5.3 mt-10 -56.19 -34.9 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.093 0.246 . . . . 0.0 110.728 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -59.85 -36.09 76.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.441 0.638 . . . . 0.0 109.865 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 39.2 mttp -81.82 -35.23 29.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.971 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.556 HG21 HD21 ' A' ' 12' ' ' LEU . 80.3 mt -63.63 -47.03 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.733 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.778 ' HZ2' HD21 ' A' ' 16' ' ' LEU . 27.9 mmtt -57.86 -44.77 86.8 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.1 m -62.66 -46.34 88.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.948 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.24 78.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.64 -42.06 99.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.193 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -22.83 55.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -73.86 -42.84 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.2 mt -53.98 -51.57 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 68.4 tttt -53.22 -39.77 64.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.822 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 48.0 t -65.27 -54.71 25.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.173 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.526 ' HB3' HG23 ' A' ' 96' ' ' THR . 72.7 mm-40 -64.28 -37.83 88.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.77 -24.93 66.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.114 -0.366 . . . . 0.0 111.075 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 57' ' ' SER . 15.1 t70 -70.59 -27.51 64.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.692 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.571 ' N ' ' HE2' ' A' ' 61' ' ' LYS . 8.8 mmpt? -69.5 -31.27 69.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.415 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 52.5 m -95.99 100.37 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.164 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -144.45 105.05 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 0.0 109.376 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.13 -153.63 24.48 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.902 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.47 -53.04 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.09 14.58 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.409 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.24 -50.0 69.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -170.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.99 -39.05 84.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 -173.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.95 -36.72 72.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.23 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.15 -36.92 84.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 110.22 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.805 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -68.35 -37.22 80.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.523 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 m -67.28 -33.61 75.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.632 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.45 ' O ' HG21 ' A' ' 78' ' ' VAL . 13.8 t80 -63.02 -27.38 69.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.677 -177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 95.0 mttt -54.13 -43.27 70.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.765 175.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.13 -30.19 64.79 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.992 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.444 HG21 ' HA ' ' A' ' 94' ' ' ALA . 45.7 m -68.61 -45.36 72.13 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.315 176.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 74' ' ' PHE . 59.5 t -64.27 -33.05 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.879 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.9 mt-30 -53.39 -44.89 69.04 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-O 121.348 0.594 . . . . 0.0 110.258 174.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.47 27.04 16.93 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.441 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.38 -47.61 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.71 0.291 . . . . 0.0 110.938 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.48 HD21 ' N ' ' A' ' 82' ' ' LEU . 2.9 mm? -80.19 10.25 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.84 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 t -87.9 -32.59 18.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.839 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.05 78.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.284 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.28 7.94 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -74.94 -19.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 109.829 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.25 -41.79 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.15 5.0 81.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.202 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -70.65 121.21 17.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.25 -145.02 8.82 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.28 2.92 16.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.49 0.662 . . . . 0.0 109.956 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.23 -38.74 55.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.409 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.48 -62.7 1.53 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.673 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 77' ' ' THR . . . -82.79 99.8 9.9 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.08 -170.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.48 141.28 41.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.526 HG23 ' HB3' ' A' ' 58' ' ' GLU . 12.1 p -85.71 116.62 24.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.194 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.8 p -61.95 0.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.694 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.047 0.451 . . . . 0.0 109.835 173.577 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.405 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 42.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.65 -33.04 69.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.495 ' HA ' HD23 ' A' ' 41' ' ' LEU . 9.7 pt-20 -61.65 -35.18 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 177.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 12.9 tp10 -72.34 -42.54 65.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.943 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.02 -34.25 74.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.677 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 48' ' ' ILE . 60.4 tp -73.32 -43.53 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.474 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.8 ptm180 -63.74 -18.8 64.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.508 -175.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 30.3 mt-10 -64.75 -39.35 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.469 ' HE3' HD12 ' A' ' 12' ' ' LEU . 39.0 mtmt -85.93 -5.66 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.282 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 13' ' ' ARG . 86.0 mt -93.86 158.05 15.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.207 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.3 p -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.075 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.07 -37.47 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -172.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.54 -41.48 79.78 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.219 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 96.2 mt-30 -70.14 -33.92 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.037 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.1 mttt -60.66 -40.12 90.85 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.278 0.561 . . . . 0.0 110.219 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -67.16 -47.24 71.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.4 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 53.9 m80 -72.89 -18.91 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.051 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.48 -50.16 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.1 t70 -64.94 -38.7 91.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.451 ' CZ3' HG22 ' A' ' 78' ' ' VAL . 81.1 t90 -59.88 -44.14 94.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.773 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 27' ' ' LEU . 2.3 tt -66.61 -29.16 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 24.1 ttmm -55.19 -47.75 74.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.951 173.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.61 -31.13 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.64 -51.65 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.238 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.05 -29.59 31.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.37 -58.75 3.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.345 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -70.39 123.41 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.452 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.85 -30.59 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.193 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.49 -43.72 96.24 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.998 -0.547 . . . . 0.0 113.101 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 73.7 mm-40 -72.46 -35.66 68.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.054 0.454 . . . . 0.0 111.004 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 60.8 t80 -71.49 -33.82 69.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.677 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 12.6 t70 -55.04 -44.86 75.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.251 172.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 36.3 ttmt -54.01 -44.78 71.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.303 177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.432 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 91.9 t80 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.124 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 39.8 mt -71.38 -12.79 61.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.704 -175.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.81 31.05 7.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.652 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 10.3 m-85 -103.21 -178.92 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 111.895 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' OD1' ' HG3' ' A' ' 47' ' ' LYS . 21.3 t70 -58.56 129.73 43.48 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.924 176.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.38 -39.46 64.24 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -76.38 -31.92 58.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.552 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG3' ' OD1' ' A' ' 44' ' ' ASP . 56.1 mttm -74.97 -38.6 61.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.672 HG22 HD22 ' A' ' 12' ' ' LEU . 65.6 mt -59.36 -52.93 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.839 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.465 ' HZ2' HD22 ' A' ' 16' ' ' LEU . 32.1 mttp -55.8 -44.49 77.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 175.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -61.55 -44.97 96.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.096 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.23 -48.17 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.48 -40.1 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.601 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.71 -37.99 79.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.383 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.08 -44.11 91.86 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.111 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.2 mt -53.54 -48.98 57.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.579 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HB3' ' HZ1' ' A' ' 56' ' ' LYS . 8.0 ttpm? -58.33 -40.82 83.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 m -61.85 -52.89 62.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.279 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.501 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.0 mm-40 -65.7 -51.13 61.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.31 -24.19 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.743 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.6 -35.8 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.748 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.63 -27.11 67.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.558 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.482 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 23.2 m -91.85 97.75 11.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -145.4 108.84 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.851 0.834 . . . . 0.0 110.016 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.16 -153.43 23.95 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.39 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.37 -33.5 75.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.6 p-10 -89.95 -6.93 55.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.633 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.742 -169.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -59.15 -32.93 70.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.26 0.552 . . . . 0.0 111.079 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -86.59 -40.78 14.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.826 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 13.7 mm100 -63.72 -42.62 97.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.67 -31.39 72.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.954 0.407 . . . . 0.0 110.687 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 74.7 m -77.97 -36.07 49.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.662 177.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -74.75 -27.0 60.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 0.0 111.092 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -64.6 -27.0 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.943 0.401 . . . . 0.0 110.08 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.58 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 90.5 mttt -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 24.2 mt-30 -73.28 -25.87 60.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.872 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.2 m -69.1 -45.52 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.846 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.451 HG22 ' CZ3' ' A' ' 26' ' ' TRP . 73.7 t -60.99 -25.28 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.122 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 18.5 mm-40 -56.36 -42.56 77.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.394 175.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.9 10.24 73.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.333 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -100.73 -62.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HB1' ' A' ' 81' ' ' ALA . 2.6 mm? -76.45 -0.63 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 112.12 -174.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -85.07 -16.48 40.5 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.977 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.69 10.65 25.63 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.31 141.21 10.24 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 tt -76.01 -21.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.302 0.572 . . . . 0.0 110.199 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.9 -29.07 70.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.478 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.79 10.93 59.12 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.427 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -77.01 119.16 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.07 -155.83 18.98 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.5 p -74.94 9.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.974 0.416 . . . . 0.0 111.29 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -95.43 -10.91 28.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.472 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 31.4 p-10 -151.28 -31.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.657 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.54 99.64 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 0.0 110.656 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 149.81 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.965 0.412 . . . . 0.0 111.793 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.501 HG23 ' HB3' ' A' ' 58' ' ' GLU . 13.3 p -94.51 113.99 25.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.462 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 p -83.32 43.11 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.487 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.69 151.21 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 111.17 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -119.98 154.07 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.284 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.17 -147.17 17.8 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.653 -176.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -87.26 -171.15 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.978 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HB2' ' CB ' ' A' ' 10' ' ' GLU . 58.4 pttt -63.55 137.37 58.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.681 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m -107.87 -168.16 1.34 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.877 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -52.76 -37.56 59.68 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.637 0.256 . . . . 0.0 111.114 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 14.8 pt-20 -60.5 -30.19 69.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' CB ' ' HB2' ' A' ' 6' ' ' LYS . 76.0 mm-40 -86.9 -33.17 19.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.336 0.589 . . . . 0.0 111.065 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -77.65 -30.45 52.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.59 HD21 HG23 ' A' ' 48' ' ' ILE . 65.8 tp -82.9 -25.94 31.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 27.7 ttt180 -54.0 -48.56 70.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.08 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -57.99 -40.4 80.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.542 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HE3' HD13 ' A' ' 12' ' ' LEU . 38.0 mtmt -80.18 -19.29 47.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.911 0.386 . . . . 0.0 111.661 -175.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 78.0 mt -84.63 166.4 17.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.331 0.586 . . . . 0.0 110.755 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -79.66 166.73 21.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.705 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.665 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.12 -56.04 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.606 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 90.7 mt-30 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.962 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.05 -43.02 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.124 0.487 . . . . 0.0 110.551 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 m -64.94 -39.91 94.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.899 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 61.6 m80 -78.06 -18.73 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.427 -177.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD12 HD13 ' A' ' 16' ' ' LEU . 16.4 mt -63.12 -48.75 77.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 171.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 32.2 t70 -63.12 -43.34 98.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.172 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -57.52 -47.98 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.77 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 31' ' ' LEU . 58.9 tp -64.98 -39.82 94.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.143 0.496 . . . . 0.0 110.233 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -61.22 -46.95 88.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.995 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 61.9 mt-10 -53.9 -45.1 71.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.957 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -60.52 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 27' ' ' LEU . 10.1 mp -64.23 -37.29 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.913 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.88 4.0 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.749 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.1 137.7 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.219 0.533 . . . . 0.0 111.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.03 -36.4 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.51 90.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.78 -43.35 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.948 0.404 . . . . 0.0 110.449 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.4 t80 -67.37 -30.91 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.71 -42.7 89.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.411 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.02 -40.84 74.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.036 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.402 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 82.2 t80 -66.72 -39.1 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 62.2 mt -67.05 -21.43 65.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.22 10.01 74.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.008 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 26.9 m-85 -90.57 175.31 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.012 0.434 . . . . 0.0 111.808 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' O ' HG13 ' A' ' 48' ' ' ILE . 8.2 t0 -64.31 135.22 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.508 175.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.34 -35.85 72.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.933 0.397 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 m -64.2 -25.04 67.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.524 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.12 -41.65 10.36 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.421 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.59 HG23 HD21 ' A' ' 12' ' ' LEU . 77.8 mt -57.55 -51.92 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.635 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.54 -41.41 94.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 m -68.45 -38.95 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.64 -48.93 79.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.369 . . . . 0.0 110.401 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.49 -40.86 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.61 -37.78 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.7 -46.92 80.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.502 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.5 mt -54.99 -44.93 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 26.1 ttpp -58.41 -41.1 84.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.0 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 m -61.33 -51.63 68.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.556 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 69.5 mm-40 -63.85 -40.67 97.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.358 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.86 -33.09 75.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.728 0.299 . . . . 0.0 111.033 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.82 -24.35 61.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.199 0.523 . . . . 0.0 110.283 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 54.7 mtpt -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.194 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.664 ' SG ' ' HA ' ' A' ' 67' ' ' ALA . 5.2 t -129.41 94.93 3.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -141.72 101.0 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -172.52 -142.79 3.9 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -79.25 -47.93 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.902 0.351 . . . . 0.0 111.373 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -100.98 15.91 27.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.713 0.292 . . . . 0.0 111.363 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.664 ' HA ' ' SG ' ' A' ' 62' ' ' CYS . . . -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.52 -41.0 65.89 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.329 0.585 . . . . 0.0 111.013 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -71.85 -48.03 48.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.177 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.23 -33.85 76.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.287 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 67.0 mttm -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.056 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 79.0 m -78.19 -41.35 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.795 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -65.59 -34.2 77.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.382 . . . . 0.0 110.962 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -60.36 -30.07 69.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.61 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 72' ' ' THR . 90.1 mttt -55.25 -43.58 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.63 -37.53 79.79 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.3 m -65.25 -44.17 88.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.301 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 96.6 t -66.29 -36.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.421 -177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.46 -45.55 80.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.902 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.66 4.82 80.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.2 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.28 -36.61 8.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.982 0.42 . . . . 0.0 110.322 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.0 mt -91.56 5.45 49.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.905 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.1 p -69.81 -27.96 65.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.284 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.03 6.93 25.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.85 166.08 10.85 Favored Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.165 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.1 tt -103.98 -1.52 9.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.728 0.775 . . . . 0.0 109.473 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -72.3 -42.98 64.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.414 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.3 28.3 16.51 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.03 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -87.83 119.89 28.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.83 -154.03 14.39 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.157 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 m -71.99 5.32 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.838 -176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -100.94 -5.98 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -147.52 -33.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.668 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.9 107.57 16.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -143.43 149.2 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 58' ' ' GLU . 17.1 p -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.751 172.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 p -73.22 26.69 0.06 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.504 ' H ' ' C ' ' A' ' 96' ' ' THR . 7.1 t -82.78 -46.95 12.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.16 0.58 33.3 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.71 23.79 8.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.149 -0.526 . . . . 0.0 109.733 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.84 136.25 38.24 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.556 -175.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.986 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.316 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.619 -0.593 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.52 109.15 20.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.332 . . . . 0.0 110.665 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -100.8 -179.95 4.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.072 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.48 -165.54 12.54 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.729 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.18 160.37 32.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.919 2.413 . . . . 0.0 112.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.34 156.13 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.396 177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -127.13 178.32 6.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.819 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.0 -46.36 88.36 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 109.993 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.494 ' HB2' HD12 ' A' ' 24' ' ' LEU . 2.1 pm0 -58.36 -40.18 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.902 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.48 -26.73 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.796 0.331 . . . . 0.0 111.41 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 79.5 mt -87.75 -50.61 6.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.261 0.553 . . . . 0.0 110.451 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.9 tp -73.76 -24.05 59.82 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.593 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -59.43 -38.61 81.1 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.255 0.55 . . . . 0.0 109.776 176.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -72.36 -20.85 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.772 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HB2' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.34 2.69 39.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 177.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 51.1 mt -107.47 -175.78 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 77.6 p -80.43 167.08 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -65.54 -35.78 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.419 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -77.45 -35.02 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -57.03 -28.37 62.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.945 0.403 . . . . 0.0 110.71 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.1 mttt -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 m -73.92 -41.4 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 0.0 110.234 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.465 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.9 m80 -76.19 -18.73 58.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 9' ' ' GLU . 2.7 tm? -61.88 -55.25 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.1 -39.49 86.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.465 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 89.6 t90 -59.09 -47.25 85.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 30' ' ' ALA . 45.1 tp -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.3 ttmm -60.97 -42.88 99.17 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -69.27 -37.6 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.57 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.9 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.463 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 71.2 mt -75.26 -33.52 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.844 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.33 -60.2 3.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.27 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -73.04 117.22 14.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.18 -28.31 69.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.37 93.17 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.297 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.38 -26.45 23.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.39 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.529 ' O ' HD22 ' A' ' 41' ' ' LEU . 35.2 t80 -66.05 -38.59 88.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -46.75 -45.22 19.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.973 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 10.5 tppt? -58.18 -28.29 64.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.892 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.525 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 86.2 t80 -75.1 -44.91 44.65 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 37' ' ' PHE . 1.9 mm? -63.15 -23.85 67.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.653 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.99 27.92 9.43 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.014 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 18.7 m-85 -100.0 -174.29 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.239 0.52 . . . . 0.0 110.96 174.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 48' ' ' ILE . 6.9 t70 -72.26 135.7 46.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.08 -33.06 72.74 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.018 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -69.24 -29.14 67.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.0 109.868 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.34 -30.94 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 44' ' ' ASP . 92.1 mt -62.62 -54.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -59.9 -40.19 87.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.77 -0.195 . . . . 0.0 111.171 177.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.7 m -61.69 -44.16 97.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.581 0.229 . . . . 0.0 111.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.23 -50.37 74.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.44 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.82 -40.74 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.221 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.08 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.765 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.78 -46.47 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.187 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.0 mt -54.33 -47.17 69.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.78 174.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -56.1 -44.78 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.001 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.8 m -61.11 -47.79 84.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -73.0 -47.75 42.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 111.201 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.431 ' CD1' ' HG2' ' A' ' 71' ' ' LYS . 14.0 tp -65.95 -20.38 66.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.574 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.86 -21.96 50.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -66.48 -34.89 78.94 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.46 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 24.4 m -80.92 110.05 16.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 -175.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -138.07 100.49 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.05 -167.62 38.47 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.539 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -76.33 -44.07 38.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.163 0.506 . . . . 0.0 110.235 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.77 -18.74 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.492 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -60.01 -25.96 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.724 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.88 -38.39 85.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.399 0.618 . . . . 0.0 110.078 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.44 -30.33 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.46 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.71 -45.73 92.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.981 0.42 . . . . 0.0 110.167 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 97.4 mttt -67.54 -20.32 65.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.975 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.457 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 90.3 m -86.39 -33.34 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.364 176.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.9 m -72.68 -35.06 67.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.407 ' HD2' HD11 ' A' ' 59' ' ' LEU . 17.9 t80 -61.18 -28.42 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.207 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 91.7 mttt -58.35 -38.04 76.39 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.643 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -72.47 -31.98 65.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.697 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.2 m -64.24 -44.4 91.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.97 -29.45 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.255 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.3 mt-30 -53.39 -51.6 62.0 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.51 -24.41 60.79 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.015 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.03 -49.78 54.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.595 0.236 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.53 -0.93 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 111.376 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -89.69 -14.89 33.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.835 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.51 10.96 56.52 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.552 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.32 144.3 10.98 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.567 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -84.61 -9.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.443 0.639 . . . . 0.0 110.322 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.66 -40.75 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.716 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.73 15.42 62.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.288 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -75.66 117.8 17.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.457 . . . . 0.0 109.803 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.53 -162.2 24.29 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.1 m -71.38 -6.07 37.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 111.371 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -75.09 -30.33 60.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.44 0.638 . . . . 0.0 109.345 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.51 -55.66 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.161 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.13 116.32 28.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.477 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.46 149.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.974 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.46 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 4.8 p -92.25 109.44 20.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.22 0.533 . . . . 0.0 111.18 174.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 p -82.05 60.96 5.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 60.8 m -110.49 -5.1 15.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.756 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.24 125.99 5.65 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -74.0 121.59 21.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.358 0.599 . . . . 0.0 111.177 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.13 -55.12 1.89 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.179 176.042 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.63 124.0 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.99 0.424 . . . . 0.0 111.06 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 mmt -95.47 90.7 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.694 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -164.41 12.05 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.118 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -86.12 -165.9 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.344 2.696 . . . . 0.0 111.894 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.1 pttt -62.72 123.97 19.8 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.383 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.6 m -115.89 -163.14 0.87 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.148 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -43.28 -50.68 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.335 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.485 ' CD ' ' HZ1' ' A' ' 28' ' ' LYS . 11.8 pt-20 -71.73 -26.48 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.742 -174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 9.7 mp0 -69.24 -45.73 69.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.022 0.439 . . . . 0.0 110.16 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.2 -36.55 84.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.401 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.5 tp -76.77 -36.82 56.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.835 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HA ' HD11 ' A' ' 16' ' ' LEU . 6.1 ptp180 -68.69 -18.68 64.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.082 -174.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.49 -28.03 68.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -86.95 1.59 52.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.369 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 76.8 mt -116.26 158.2 23.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.475 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.556 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.2 m -77.2 174.22 10.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.283 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.542 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 43.2 mt-10 -58.99 -36.81 75.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 110.228 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -66.27 -52.12 50.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.836 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 47.3 mt-30 -67.03 -27.19 67.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.324 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 17' ' ' SER . 61.9 mttm -60.67 -38.67 85.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 110.071 174.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -80.64 -39.89 26.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.978 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -66.59 -26.62 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.88 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.94 -44.84 91.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.205 0.526 . . . . 0.0 109.827 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.83 -39.34 83.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.941 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.51 -41.39 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.739 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HZ1' ' CD ' ' A' ' 9' ' ' GLU . 28.9 ttpt -58.54 -49.09 78.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 175.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.92 -33.59 76.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.355 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.44 60.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.531 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 93.2 mt -68.08 -49.02 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.712 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.36 36.27 91.4 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.327 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 45.8 t-20 -150.27 130.25 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -56.93 -54.67 43.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.88 94.41 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.599 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 33' ' ' ASN . 53.4 mt-10 -70.88 -38.33 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.033 0.417 . . . . 0.0 111.363 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 38.9 t80 -72.1 -37.2 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 109.805 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HA ' HD11 ' A' ' 41' ' ' LEU . 28.1 t70 -57.55 -42.92 83.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.653 176.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -60.27 -33.08 71.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.437 -179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.723 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 74.3 t80 -71.68 -39.02 70.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 110.17 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 53.0 mt -64.99 -17.17 64.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.945 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.37 24.51 22.34 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.567 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.723 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 4.0 m-85 -89.28 -176.94 5.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' O ' HG13 ' A' ' 48' ' ' ILE . 8.8 t0 -67.94 130.14 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.216 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.54 -35.56 63.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.281 0.363 . . . . 0.0 111.446 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 2.4 m -67.82 -40.38 83.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.89 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.465 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 62.5 mttp -74.25 -36.5 63.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 44' ' ' ASP . 74.2 mt -56.64 -57.44 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.277 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 m -60.97 -45.69 93.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.68 75.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.21 -41.16 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.642 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 39.0 t70 -70.93 -34.35 71.42 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.651 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.42 -49.8 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.72 -49.74 55.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.11 173.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 24.5 tttm -53.94 -42.92 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.514 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 51.7 m -68.57 -51.5 42.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.347 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.1 mm-40 -61.65 -51.64 67.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 111.392 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 38.9 tp -59.45 -29.98 68.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -175.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.134 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 57' ' ' SER . 99.6 mttt -59.56 -36.78 76.84 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.106 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.493 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 16.3 m -85.7 101.17 12.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.371 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -146.18 111.27 5.33 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.714 0.769 . . . . 0.0 109.288 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.21 -163.28 36.59 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.857 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -74.79 -18.34 60.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.262 0.531 . . . . 0.0 111.252 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.71 11.15 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.977 0.417 . . . . 0.0 110.817 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.89 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 -175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.75 -44.86 66.75 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.302 0.572 . . . . 0.0 111.067 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -68.53 -53.56 22.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.352 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.87 -37.26 83.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.441 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.59 -38.74 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.928 0.394 . . . . 0.0 110.449 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.558 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 95.9 m -72.66 -38.57 67.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -65.78 -31.66 72.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.23 0.538 . . . . 0.0 110.381 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -66.33 -34.0 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.457 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.558 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 73.0 mttt -56.41 -45.59 80.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 173.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -66.62 -35.65 80.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.281 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.9 m -62.72 -52.34 63.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.822 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 74' ' ' PHE . 39.8 t -63.59 -35.17 71.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.6 tm0? -51.86 -54.06 33.47 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.846 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.89 -27.75 68.23 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.698 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -50.35 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.91 -4.6 47.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.3 m -82.36 -15.8 51.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.935 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.75 4.23 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.404 174.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.94 137.01 2.93 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' ' 89' ' ' PHE . 16.6 tt -71.74 -15.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.278 0.561 . . . . 0.0 110.848 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.14 -35.51 77.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.734 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.78 14.9 34.66 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.247 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.414 ' HB2' ' HA ' ' A' ' 86' ' ' ILE . 50.9 t80 -72.71 125.28 27.13 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.35 -157.14 28.81 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -69.93 3.61 2.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.362 0.581 . . . . 0.0 111.201 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.71 -38.56 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.037 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -126.74 -29.14 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.86 113.04 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.02 146.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.046 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.493 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 2.1 p -82.53 103.09 11.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.278 0.561 . . . . 0.0 111.097 174.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 p -73.27 73.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.973 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.7 m -122.82 89.02 3.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.507 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.5 -66.18 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -134.05 91.01 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.34 -49.04 2.23 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.014 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.17 145.52 2.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.0 ttt -84.51 -13.73 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 0.0 109.878 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.83 -162.18 12.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.341 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.07 160.17 50.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.584 2.19 . . . . 0.0 111.131 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.722 ' HE3' ' HG3' ' A' ' 10' ' ' GLU . 16.3 ptmt -68.94 142.48 54.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.61 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 t -92.55 -179.65 5.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.162 -170.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HE2' ' HB2' ' A' ' 41' ' ' LEU . 60.4 mtpt -57.43 -38.99 75.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.68 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' HB2' HD13 ' A' ' 24' ' ' LEU . 13.3 pt-20 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 0.0 110.504 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.722 ' HG3' ' HE3' ' A' ' 6' ' ' LYS . 20.5 tp10 -79.35 -36.36 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.089 -177.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD23 ' HE2' ' A' ' 6' ' ' LYS . 94.2 mt -69.26 -46.42 67.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.998 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.593 HD21 HG21 ' A' ' 48' ' ' ILE . 54.5 tp -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.979 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 9.3 ptm180 -63.83 -23.1 67.22 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.437 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.41 -26.92 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.78 -15.35 39.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.552 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 68.2 mt -92.59 169.52 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.327 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.635 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 32.0 t -82.25 175.49 10.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.47 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.14 -32.81 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.889 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.08 -43.56 52.44 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.495 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -57.04 -34.73 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.061 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.3 mttt -62.29 -33.79 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.693 0.282 . . . . 0.0 111.261 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -66.68 -43.1 85.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 43.5 m80 -77.95 -22.15 49.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.766 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.3 tm? -59.36 -53.24 60.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 t70 -67.11 -39.95 86.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.47 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 84.4 t90 -54.15 -48.17 71.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD22 ' HG ' ' A' ' 31' ' ' LEU . 2.1 tt -63.1 -36.33 83.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.299 -176.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.47 -52.57 63.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.596 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 4.6 mm-40 -64.51 -28.85 69.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.915 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.1 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.999 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.513 ' HG ' HD22 ' A' ' 27' ' ' LEU . 67.2 mt -70.03 -32.08 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.614 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.72 40.46 96.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.324 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -156.62 179.46 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.024 0.44 . . . . 0.0 110.896 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -105.04 -43.38 5.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.752 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.566 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.46 -56.05 19.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.569 -0.741 . . . . 0.0 114.181 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -41.14 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.738 0.769 . . . . 0.0 111.578 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.409 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 62.8 t80 -73.14 -27.95 61.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.403 . . . . 0.0 110.013 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.566 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 11.2 t70 -55.56 -50.07 71.01 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.268 0.556 . . . . 0.0 110.424 171.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.18 -41.06 87.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.639 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.27 -38.99 85.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.416 . . . . 0.0 110.511 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . 78.3 mt -74.17 -13.84 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.052 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.36 48.74 0.91 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.377 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -123.24 -170.33 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.086 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' O ' HG13 ' A' ' 48' ' ' ILE . 9.4 t70 -75.87 134.63 40.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.863 177.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.96 -35.76 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -69.79 -28.41 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -86.73 -34.63 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.593 HG21 HD21 ' A' ' 12' ' ' LEU . 95.6 mt -66.03 -51.3 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.599 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.56 -35.83 82.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -64.65 -44.53 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.44 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.62 90.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.79 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.8 -48.74 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.644 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.3 -31.73 72.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 110.593 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -68.0 -50.74 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.233 175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.6 mt -53.44 -47.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.521 0.677 . . . . 0.0 109.95 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 48.7 tttt -53.17 -48.95 67.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.393 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 55.1 m -59.07 -47.05 86.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' HB3' HG23 ' A' ' 96' ' ' THR . 58.5 mm-40 -63.64 -47.43 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.53 -32.57 70.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.97 -18.69 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.507 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.435 ' HZ3' ' CD ' ' A' ' 58' ' ' GLU . 97.3 mttt -71.63 -40.82 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 0.0 110.106 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.1 m -92.61 75.07 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.757 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -122.21 86.17 2.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.858 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -149.99 -149.19 4.95 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.666 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.57 -55.4 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.759 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.86 41.37 1.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -58.91 -45.0 91.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.33 -42.64 91.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.689 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 14.9 tp60 -59.75 -44.53 93.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.756 -175.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -70.56 -43.61 69.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.682 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 65.0 mttm -60.83 -37.97 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.551 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 51.7 m -71.01 -35.8 72.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.509 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m -67.1 -31.62 72.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.45 0.643 . . . . 0.0 109.633 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -69.58 -28.92 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.416 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 85.8 mttt -58.89 -43.65 91.03 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.265 0.555 . . . . 0.0 109.892 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -24.69 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.245 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 m -70.88 -50.24 37.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.519 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.33 -33.2 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.41 ' HG2' HD22 ' A' ' 31' ' ' LEU . 1.4 tm0? -51.8 -52.98 45.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.118 0.485 . . . . 0.0 111.055 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.16 -22.51 65.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.063 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.71 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 0.0 111.273 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.44 -5.01 53.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.196 0.522 . . . . 0.0 111.395 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -74.2 -24.33 59.34 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.79 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.24 5.22 52.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.044 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.28 147.73 13.08 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.725 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -81.7 -6.65 10.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.595 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.42 -36.44 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.854 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.83 15.32 62.84 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.657 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.16 144.4 33.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.294 0.569 . . . . 0.0 109.761 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.96 -152.02 24.17 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.604 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p -69.11 1.61 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.001 0.429 . . . . 0.0 112.093 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.94 -45.57 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.391 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -122.25 -12.71 8.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.84 102.37 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.007 0.432 . . . . 0.0 111.011 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.43 148.22 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.978 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.642 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 4.0 p -93.58 111.75 23.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.142 0.496 . . . . 0.0 110.779 172.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.404 HG22 ' HA3' ' A' ' 101' ' ' GLY . 16.9 p -80.41 50.66 1.31 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.628 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.642 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 28.4 m -61.33 -38.6 87.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.789 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.24 -66.83 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -114.21 129.57 56.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.57 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.404 ' HA3' HG22 ' A' ' 97' ' ' THR . . . -156.22 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.954 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.763 178.534 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 112.104 -0.398 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.0 -49.84 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 3' ' ' MET . 24.0 ptt? -142.02 111.66 6.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.003 172.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.65 -141.88 6.79 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.388 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.89 175.78 6.51 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.693 2.262 . . . . 0.0 111.89 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HA ' ' HG3' ' A' ' 10' ' ' GLU . 24.6 pttm -68.37 123.91 22.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 p -110.23 -168.51 1.33 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.35 -39.75 61.1 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.365 0.416 . . . . 0.0 111.085 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 11.4 pt-20 -57.36 -44.12 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 22.9 mm-40 -68.02 -51.2 49.72 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.7 -33.3 72.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.618 HD22 HG22 ' A' ' 48' ' ' ILE . 55.1 tp -83.08 -39.77 20.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.31 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.579 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 39.2 ptt180 -72.76 -7.05 48.73 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.831 -173.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 44.5 mt-10 -62.39 -37.53 86.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.266 0.555 . . . . 0.0 109.578 168.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -89.3 -14.47 35.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.786 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.1 156.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 9.2 m -78.56 168.94 19.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.976 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.79 -36.11 81.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.302 0.572 . . . . 0.0 110.201 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.51 ' OD1' ' HB2' ' A' ' 17' ' ' SER . 5.6 p-10 -66.01 -37.86 86.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.07 -37.73 72.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 98.9 mttt -60.2 -35.29 75.07 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -62.91 -45.93 90.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -82.73 -17.43 44.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.558 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.49 -47.5 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.53 -39.92 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.216 175.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -43.16 87.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.1 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.36 -33.24 75.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -58.48 -45.22 89.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 109.746 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.28 -38.25 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.523 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.426 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -61.36 -47.57 85.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.56 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 37' ' ' PHE . 86.6 mt -78.09 -27.63 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.111 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.46 -64.06 3.59 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.112 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.696 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 27.7 t30 -72.74 115.04 11.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.5 -30.4 67.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.269 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.22 -45.98 94.07 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.644 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.696 ' HG2' ' HB3' ' A' ' 33' ' ' ASN . 8.6 pt-20 -82.0 -17.37 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.308 -0.524 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' HA ' HD12 ' A' ' 31' ' ' LEU . 35.7 t80 -69.95 -40.82 75.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 171.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -50.38 -41.7 52.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.072 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -48.68 -43.95 37.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.208 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.587 ' CE2' HG23 ' A' ' 48' ' ' ILE . 91.4 t80 -55.66 -44.68 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 9' ' ' GLU . 2.5 mm? -65.79 -23.88 66.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.664 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.52 40.41 3.07 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.942 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -125.79 -174.97 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.723 0.297 . . . . 0.0 110.841 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.409 ' O ' HG13 ' A' ' 48' ' ' ILE . 10.6 t70 -74.9 139.82 43.36 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.065 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.74 -36.74 65.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.364 0.415 . . . . 0.0 110.978 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 m -63.06 -39.31 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HD3' HG23 ' A' ' 86' ' ' ILE . 61.3 mttp -78.32 -40.11 37.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.168 0.509 . . . . 0.0 109.999 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.618 HG22 HD22 ' A' ' 12' ' ' LEU . 79.4 mt -62.36 -52.86 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.923 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.14 -34.02 77.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.95 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -67.35 -41.47 85.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.606 0.241 . . . . 0.0 110.446 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.13 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.78 -44.75 95.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.245 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.23 -30.76 69.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.001 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -65.51 -48.36 72.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.3 mt -52.86 -44.95 49.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.316 0.579 . . . . 0.0 109.852 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.69 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.218 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -63.44 -34.69 78.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.301 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' HB3' HG22 ' A' ' 96' ' ' THR . 76.0 mm-40 -68.29 -52.9 28.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.964 0.412 . . . . 0.0 110.402 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -61.77 -18.04 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 111.207 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.91 -22.8 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.78 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -80.14 -29.78 38.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.419 0.628 . . . . 0.0 110.308 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 76.6 m -86.84 94.1 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.56 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -133.61 96.55 3.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.76 -138.51 7.18 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 119.583 -1.294 . . . . 0.0 114.403 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 66' ' ' ASP . 2.9 p-10 -61.56 -84.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 5.1 m-20 -82.46 14.26 3.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.483 . . . . 0.0 111.031 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.557 ' HB3' ' HB3' ' A' ' 62' ' ' CYS . . . -66.01 -49.06 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -176.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.556 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 10.7 m-20 -67.32 -23.77 65.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.771 -175.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -73.92 -42.24 60.9 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.483 ' HB2' ' SG ' ' A' ' 98' ' ' CYS . 11.3 mm100 -66.91 -34.1 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.325 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 88.4 mttt -57.36 -38.68 74.56 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.379 0.609 . . . . 0.0 109.827 174.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.0 m -70.49 -42.51 71.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -68.26 -29.26 68.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.222 0.534 . . . . 0.0 110.956 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.045 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 96.8 mttt -57.44 -36.82 71.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.196 0.522 . . . . 0.0 110.727 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.53 -30.37 46.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 22.6 m -64.89 -43.45 92.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.194 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.1 t -60.61 -39.93 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.321 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -58.95 -36.55 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.412 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.66 -15.26 68.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.605 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.12 -22.45 19.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.944 0.402 . . . . 0.0 111.197 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.62 25.64 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.315 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 m -55.76 -43.6 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.398 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.59 37.32 0.58 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.891 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.53 130.57 1.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.973 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.404 HG23 ' HD3' ' A' ' 47' ' ' LYS . 12.4 tt -95.41 -18.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 110.907 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.54 -14.06 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.344 0.592 . . . . 0.0 110.347 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.94 14.54 44.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.903 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -81.87 109.72 16.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -162.45 16.43 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -75.1 2.17 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 111.811 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.7 -38.31 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -109.13 -61.74 1.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.65 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 77' ' ' THR . . . -89.74 107.08 18.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.449 -171.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.79 139.97 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.569 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.483 ' H ' ' HG1' ' A' ' 96' ' ' THR . 2.2 p -77.16 105.71 8.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.9 174.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 p -72.09 49.3 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.878 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 70' ' ' GLN . 71.2 m -88.9 97.87 11.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.22 63.59 1.42 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.458 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -81.5 -10.82 59.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.797 0.332 . . . . 0.0 110.416 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.04 175.02 14.75 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.702 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.293 179.806 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.34 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.919 0.39 . . . . 0.0 111.122 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 mtt -109.29 119.95 41.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.03 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' HA2' ' HD3' ' A' ' 5' ' ' PRO . . . -127.51 133.67 7.98 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.859 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.432 ' HD3' ' HA2' ' A' ' 4' ' ' GLY . 6.3 Cg_exo -78.68 172.01 15.79 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.048 2.499 . . . . 0.0 111.619 176.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' CB ' ' HG2' ' A' ' 10' ' ' GLU . 17.7 ptmt -68.25 139.04 55.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.214 0.531 . . . . 0.0 111.219 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.583 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 21.0 m -125.35 -162.67 1.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.343 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -55.3 -46.83 76.22 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.583 ' OE1' ' HB2' ' A' ' 7' ' ' SER . 0.0 OUTLIER -68.49 -38.19 80.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.338 . . . . 0.0 110.11 -179.005 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.59 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.0 tp10 -63.57 -38.62 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.362 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 7' ' ' SER . 57.4 mt -69.85 -43.51 71.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 110.563 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 48' ' ' ILE . 60.4 tp -72.08 -31.76 66.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.709 -175.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 5.5 ptm180 -68.95 -18.42 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.015 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 29.5 mt-10 -70.47 -24.7 62.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -87.35 -19.83 27.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 59.4 mt -91.42 175.05 7.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.137 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.554 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 34.2 m -73.17 167.87 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.73 -26.77 57.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.356 0.598 . . . . 0.0 109.58 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.28 -42.51 65.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.629 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -60.64 -29.7 69.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.048 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 17' ' ' SER . 96.6 mttt -57.17 -43.17 82.36 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.306 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -71.4 -33.53 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -75.8 -20.68 58.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.053 0.454 . . . . 0.0 110.433 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.31 -43.22 74.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.04 -47.17 86.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.041 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.98 -43.55 77.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.812 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.53 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -61.32 -43.78 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.17 -32.53 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.096 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.79 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 HD11 ' HA ' ' A' ' 37' ' ' PHE . 58.8 mt -73.73 -22.08 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.88 -62.09 3.98 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.346 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -85.95 124.72 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.44 -20.91 65.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.03 -20.74 76.55 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.248 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -97.06 -28.25 14.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.753 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' HA ' HD11 ' A' ' 31' ' ' LEU . 60.2 t80 -69.12 -29.5 67.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.648 174.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.1 -43.5 66.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.908 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -54.81 -42.21 71.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.391 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.71 -33.24 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.368 0.604 . . . . 0.0 110.389 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 mt -80.12 10.67 4.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.709 -176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.68 25.18 5.66 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.361 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -106.74 178.4 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 111.829 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.12 129.23 41.14 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.38 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.8 mt-10 -61.2 -23.61 65.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.26 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 t -71.5 -38.47 71.16 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -74.57 -41.66 60.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 109.854 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.835 HG22 HD21 ' A' ' 12' ' ' LEU . 65.7 mt -55.15 -58.18 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.085 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.6 mttp -59.15 -40.43 85.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -62.99 -38.85 92.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.987 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.49 -46.22 90.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.264 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.64 -39.48 80.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.87 -42.67 90.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.475 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.88 -48.48 74.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 51' ' ' ALA . 75.7 mt -53.48 -46.68 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -61.94 -45.45 93.62 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -50.78 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 96' ' ' THR . 60.2 mm-40 -60.82 -39.95 90.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.346 0.593 . . . . 0.0 111.254 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -76.12 -27.34 57.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.584 -178.33 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.68 -26.66 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -76.69 -18.62 58.43 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 96.9 m -90.78 87.07 6.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.957 173.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -138.68 16.15 2.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.271 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.29 -139.93 4.43 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.801 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -71.41 -67.71 0.5 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 111.078 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -93.35 35.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.353 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -37.6 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.27 -39.89 73.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 110.768 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -72.03 -39.19 69.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.26 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.776 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.63 -35.64 78.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -73.43 -41.58 63.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.938 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.425 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 27.5 m -70.0 -31.26 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' A' ' 59' ' ' LEU . 18.4 t80 -63.69 -23.82 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -58.86 -37.63 76.95 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 32.7 mt-30 -73.76 -33.74 64.42 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.348 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.9 m -65.67 -46.95 77.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.83 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.61 -33.13 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.781 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 83' ' ' SER . 2.6 mm-40 -56.21 -47.18 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.762 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.9 -7.63 87.43 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.026 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.95 -50.55 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 0.0 110.993 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.9 16.13 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.077 0.465 . . . . 0.0 111.331 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 10.2 t -87.78 41.29 0.98 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.365 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.03 -28.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.649 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.73 148.03 9.47 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.932 -1.128 . . . . 0.0 112.746 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -100.08 -14.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.546 0.689 . . . . 0.0 109.962 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.88 -24.88 59.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.936 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.22 7.69 58.62 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.189 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -77.3 121.84 24.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.042 0.449 . . . . 0.0 110.504 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.74 -159.08 25.54 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 m -70.88 1.9 4.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -81.91 -37.25 27.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -126.78 -20.08 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.189 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -127.86 116.44 20.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.564 0.221 . . . . 0.0 111.016 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.82 154.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.974 0.416 . . . . 0.0 111.313 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 58' ' ' GLU . 8.7 p -92.92 127.29 38.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.699 166.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 p -72.17 21.11 0.06 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.472 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.441 ' H ' ' C ' ' A' ' 96' ' ' THR . 45.4 m -70.04 110.61 5.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.57 0.7 . . . . 0.0 109.958 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.22 60.55 0.21 Allowed Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 -165.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.43 110.09 5.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.814 -0.693 . . . . 0.0 111.914 -164.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.5 106.11 1.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.648 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.641 -176.795 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.874 -0.491 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.42 171.09 8.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -146.46 148.51 32.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.682 0.277 . . . . 0.0 110.582 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.59 -156.56 26.32 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.647 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.05 141.34 18.66 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.631 2.221 . . . . 0.0 111.752 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.457 ' HB3' ' HB3' ' A' ' 10' ' ' GLU . 39.4 mtmt -69.04 139.74 54.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 8.2 m -65.35 166.09 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.784 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.41 -33.93 71.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.842 0.353 . . . . 0.0 110.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 12.4 pt-20 -62.49 -37.14 84.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.328 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.597 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.6 tm-20 -67.57 -42.96 81.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.56 -35.2 70.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.694 HD23 HG23 ' A' ' 48' ' ' ILE . 56.3 tp -74.28 -44.29 53.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.628 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.85 -22.13 65.26 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.422 -174.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 11.8 mm-40 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 0.0 110.884 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.18 -0.23 39.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.015 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 39.0 mt -99.15 172.03 7.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.621 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 64.8 p -90.86 169.76 10.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.929 175.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.88 -34.4 75.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.207 0.527 . . . . 0.0 109.777 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.56 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.182 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.9 mt-30 -59.75 -38.57 82.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.877 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 86.2 mttt -62.33 -36.37 81.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.778 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.2 m -68.59 -44.55 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.922 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 65.3 m80 -73.52 -17.26 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.571 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.1 -44.78 91.26 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -64.56 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.396 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -63.43 -47.77 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.259 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD11 ' HB1' ' A' ' 30' ' ' ALA . 38.1 tp -65.19 -24.26 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.829 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 35.6 ttmt -60.17 -43.45 95.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.01 -33.57 57.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.238 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB1' HD11 ' A' ' 27' ' ' LEU . . . -62.57 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.62 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 36' ' ' GLU . 87.8 mt -83.79 -18.65 36.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.05 -62.25 4.02 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.492 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -92.92 144.95 24.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.879 0.371 . . . . 0.0 110.536 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.21 -36.17 77.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.166 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.62 96.76 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.65 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' O ' HD13 ' A' ' 31' ' ' LEU . 25.8 mm-40 -76.54 -28.34 56.27 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.501 -0.411 . . . . 0.0 111.448 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.7 t80 -73.52 -35.69 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.32 -38.16 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.164 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 3.2 tppp? -49.8 -51.96 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.665 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CE2' HG21 ' A' ' 48' ' ' ILE . 90.4 t80 -69.53 -35.85 75.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.021 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 77.6 mt -74.57 2.23 10.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.818 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.93 29.07 8.33 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.14 -177.04 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 112.014 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 48' ' ' ILE . 7.9 t70 -71.37 136.95 48.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.296 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.45 -38.0 68.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.291 0.369 . . . . 0.0 111.086 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -61.85 -34.62 76.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.12 0.486 . . . . 0.0 110.034 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HD3' HG21 ' A' ' 86' ' ' ILE . 99.4 mttt -86.81 -37.68 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.694 HG23 HD23 ' A' ' 12' ' ' LEU . 76.3 mt -61.89 -51.84 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HE2' HD21 ' A' ' 16' ' ' LEU . 89.2 mttt -65.14 -29.97 70.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -71.76 -42.22 67.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.33 -47.41 82.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.72 -38.73 91.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.4 -37.73 87.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.679 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.491 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.471 HG21 HD23 ' A' ' 59' ' ' LEU . 66.9 mt -53.68 -39.5 38.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.513 176.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 30.4 ttpt -63.01 -36.11 82.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.177 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -61.55 -55.89 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.485 ' HB3' HG21 ' A' ' 96' ' ' THR . 21.2 mm-40 -62.92 -32.69 74.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.238 -176.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD23 HG21 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -76.27 -26.84 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.331 177.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -76.64 -38.83 53.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.418 0.628 . . . . 0.0 109.89 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HZ3' ' CD ' ' A' ' 58' ' ' GLU . 46.9 mtpt -62.85 -17.75 61.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.531 178.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -121.22 100.1 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.37 108.64 7.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.979 0.895 . . . . 0.0 109.933 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.49 -166.07 39.29 Favored Glycine 0 C--N 1.315 -0.611 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.591 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -78.73 -25.29 44.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.35 0.575 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.38 -17.45 42.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.207 0.527 . . . . 0.0 110.054 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -60.26 -32.56 71.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.882 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.81 -42.1 75.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.437 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.22 -46.78 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.416 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.15 -37.13 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.76 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 65.1 mttm -65.54 -34.56 78.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.545 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 77.7 m -73.46 -37.42 65.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.659 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.0 m -69.85 -36.85 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.211 0.529 . . . . 0.0 110.767 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.446 ' O ' HG22 ' A' ' 78' ' ' VAL . 16.9 t80 -62.74 -32.4 73.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 87.7 mttt -51.84 -50.45 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.488 0.661 . . . . 0.0 110.704 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.78 -29.12 66.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.638 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.7 m -66.75 -46.38 75.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.572 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 74' ' ' PHE . 93.6 t -61.6 -35.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.1 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.46 -48.86 65.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.64 -20.7 68.06 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.297 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.83 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.885 0.374 . . . . 0.0 111.078 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.3 mt -106.01 30.56 5.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.002 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 p -63.34 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.905 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.83 47.69 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.112 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.46 149.36 5.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.624 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 48' ' ' ILE . 18.2 tt -112.86 -28.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.026 0.413 . . . . 0.0 111.144 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.93 -12.87 60.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 110.719 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.55 -5.56 74.88 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 172.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -83.47 129.32 34.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 110.077 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.76 -155.26 26.55 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -67.64 -1.41 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 111.228 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -79.83 -32.67 40.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -138.12 -10.93 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.57 103.72 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.805 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 m -138.09 147.64 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.628 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.485 HG21 ' HB3' ' A' ' 58' ' ' GLU . 20.1 p -96.64 118.13 32.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.082 169.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.9 p -78.86 31.05 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.92 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.71 87.7 6.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.57 -67.36 0.96 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.786 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -154.2 157.09 38.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.94 -78.16 0.15 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.759 -0.638 . . . . 0.0 109.536 178.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.567 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.67 72.08 0.31 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 111.669 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.787 ' HE2' ' HA ' ' A' ' 3' ' ' MET . 2.8 tpt -88.33 -7.06 57.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 -178.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 -163.88 17.7 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.03 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -78.99 -171.64 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.683 2.255 . . . . 0.0 111.066 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 24.1 mtmm -59.11 115.49 3.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.696 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 6.8 m -83.41 171.11 13.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.658 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -64.53 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.696 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 13.5 pt-20 -63.61 -25.29 68.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.95 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 32.2 tt0 -86.77 -42.51 13.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.989 -175.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.37 -36.58 79.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.28 0.562 . . . . 0.0 110.196 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.662 HD23 HG22 ' A' ' 48' ' ' ILE . 58.3 tp -75.71 -29.89 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.673 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 9.7 ptm180 -72.45 -15.27 61.82 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.09 -26.2 62.94 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' ' OE1' ' A' ' 45' ' ' GLU . 26.6 mmtp -87.73 -23.04 24.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.233 -177.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 87.8 mt -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.184 -171.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.4 p -83.85 179.32 7.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.874 174.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.03 -33.02 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.388 0.613 . . . . 0.0 111.079 -170.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.98 -43.04 68.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.364 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.545 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 16.0 mm-40 -62.49 -42.01 99.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 90.1 mttt -58.87 -33.97 71.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.926 0.393 . . . . 0.0 111.181 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.3 m -64.21 -42.11 96.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -84.98 -22.33 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -50.64 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.9 -31.28 68.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.597 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.1 -45.85 93.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.422 ' CD1' HG11 ' A' ' 78' ' ' VAL . 48.9 tp -60.15 -29.63 68.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.995 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -59.77 -41.94 92.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.737 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -78.1 -32.42 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.92 -56.57 19.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.34 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 74.6 mt -64.14 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.35 -44.99 3.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.853 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.4 127.15 46.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.41 -43.33 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.865 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.57 90.28 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.899 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.89 -33.3 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.496 -0.414 . . . . 0.0 110.372 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.474 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 54.3 t80 -66.33 -30.22 70.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.045 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.51 ' HA ' HD11 ' A' ' 41' ' ' LEU . 12.8 t70 -54.37 -40.49 68.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.813 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -52.73 -43.62 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.632 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 48' ' ' ILE . 86.6 t80 -69.25 -32.35 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.314 0.578 . . . . 0.0 111.096 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 38' ' ' ASP . 42.8 mt -72.89 -10.1 59.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.086 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.45 24.93 27.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.05 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -106.52 -179.27 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.032 0.444 . . . . 0.0 112.196 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' O ' HG13 ' A' ' 48' ' ' ILE . 37.8 t70 -71.31 140.12 50.17 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.184 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 15' ' ' LYS . 30.9 mt-10 -56.32 -41.08 75.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.491 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.444 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 31.1 t -68.22 -30.64 69.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -81.7 -40.37 22.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.01 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.662 HG22 HD23 ' A' ' 12' ' ' LEU . 69.3 mt -61.58 -54.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.687 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.1 m -73.15 -41.26 64.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.563 0.221 . . . . 0.0 110.574 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.34 85.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.96 -45.62 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.49 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 20.7 t70 -66.17 -28.62 68.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.953 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.01 -48.93 64.38 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 174.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.04 -45.69 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.463 0.649 . . . . 0.0 109.356 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 28.1 tttt -57.07 -25.44 58.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -83.02 -53.53 5.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.882 0.372 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.32 -45.03 89.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.265 0.555 . . . . 0.0 111.274 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -65.93 -21.64 66.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.698 -177.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.4 -42.24 14.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.774 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -64.26 -20.79 66.29 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.948 0.404 . . . . 0.0 110.643 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.434 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 35.5 m -84.47 97.59 9.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -151.66 113.81 4.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.593 0.711 . . . . 0.0 109.428 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.88 -133.33 4.24 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.669 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -87.91 -16.26 34.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.609 0.718 . . . . 0.0 110.102 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.44 -11.5 23.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -57.54 -57.09 14.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.564 -169.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.18 -45.8 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.97 -45.85 63.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.12 -40.16 92.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.106 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 68.7 mttm -62.69 -32.12 73.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.794 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 m -75.94 -46.45 29.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 m -70.43 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.455 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -62.91 -28.23 69.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.969 0.414 . . . . 0.0 110.711 -178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 93.6 mttt -56.75 -42.35 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.639 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -72.86 -31.82 65.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.067 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.0 m -61.08 -39.55 90.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.336 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 27' ' ' LEU . 86.4 t -62.27 -36.75 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.88 -174.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.6 mp0 -62.95 -35.45 80.17 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.067 0.46 . . . . 0.0 110.667 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.34 -12.52 83.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.75 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.72 19.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.87 33.01 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 p -77.62 50.1 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.535 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.14 -37.71 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.875 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.81 176.15 38.77 Favored Glycine 0 N--CA 1.429 -1.767 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.6 tt -77.75 -19.16 13.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.506 0.669 . . . . 0.0 110.228 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -73.4 98.86 2.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.663 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.99 -4.9 10.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.926 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.19 113.02 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.09 -163.21 16.53 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.09 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -74.58 2.19 10.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.48 -30.64 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -114.2 -59.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.956 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.04 97.17 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.052 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 135.26 50.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.969 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 98' ' ' CYS . 20.8 p -95.82 122.18 38.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.716 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.1 p -78.58 26.17 0.24 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.212 0.53 . . . . 0.0 111.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.453 ' H ' ' C ' ' A' ' 96' ' ' THR . 62.2 m -75.56 160.58 29.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.315 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.69 33.01 5.73 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -173.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -74.78 124.2 26.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.919 -0.64 . . . . 0.0 110.647 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.68 -84.74 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.533 176.208 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 112.586 -0.205 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.61 -53.65 4.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 0.0 111.345 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 mmt -103.48 124.38 48.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.57 -148.81 7.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.17 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.99 167.63 22.87 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.142 2.561 . . . . 0.0 111.739 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 60.4 pttt -68.85 133.83 48.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.304 0.573 . . . . 0.0 111.517 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 19.6 m -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.158 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.4 mttp -59.0 -37.65 77.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 110.155 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.745 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 11.8 pt-20 -57.1 -44.28 83.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.323 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' HG3' ' HG3' ' A' ' 9' ' ' GLU . 47.5 mt-10 -74.34 -31.5 62.45 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 8' ' ' LYS . 75.2 mt -64.51 -43.15 94.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.751 172.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.59 HD22 HG23 ' A' ' 48' ' ' ILE . 55.8 tp -66.31 -34.58 78.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.593 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.745 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.7 mtp85 -59.76 -30.25 68.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.769 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.9 mt-10 -70.39 -26.8 63.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.467 . . . . 0.0 110.222 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -93.38 -1.61 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 88.2 mt -110.2 155.14 22.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 111.871 -173.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.558 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 t -71.99 170.91 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.562 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -70.7 -36.28 73.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.526 0.679 . . . . 0.0 110.019 -173.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.78 -38.46 89.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.309 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.4 mm100 -65.33 -38.82 91.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 91.4 mttt -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.661 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.0 m -62.15 -46.95 86.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.932 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -78.64 -13.85 59.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.74 -47.57 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -62.46 -32.14 72.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -66.03 -47.69 73.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 27' ' ' LEU . 2.9 tt -67.08 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.945 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -54.57 -40.12 68.45 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.419 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -80.04 -34.94 37.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -54.26 -49.42 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.323 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.527 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 89.6 mt -80.62 -36.84 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.19 32.17 81.59 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.694 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -150.91 129.57 12.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.66 -53.2 59.41 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.477 0.486 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -41.3 89.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.385 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -72.19 -34.65 68.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.027 0.413 . . . . 0.0 110.944 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.508 ' HA ' HD13 ' A' ' 31' ' ' LEU . 73.1 t80 -73.49 -33.96 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' HD13 ' A' ' 41' ' ' LEU . 12.0 t70 -59.05 -38.68 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.341 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -57.39 -39.26 75.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.506 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.442 ' CZ ' HG21 ' A' ' 48' ' ' ILE . 63.9 t80 -66.51 -36.45 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.206 0.527 . . . . 0.0 110.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 38' ' ' ASP . 21.2 mt -66.72 -17.3 64.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.12 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 14.5 62.04 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.335 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -89.53 -177.43 5.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.486 178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.492 ' HB3' ' HG3' ' A' ' 47' ' ' LYS . 27.0 t0 -66.21 132.95 49.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.246 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.92 -37.09 63.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -63.7 -36.1 82.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.155 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 58.3 mttm -83.44 -38.21 22.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.059 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.59 HG23 HD22 ' A' ' 12' ' ' LEU . 83.0 mt -60.4 -49.24 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.17 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.4 -37.31 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -66.27 -43.58 86.0 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.528 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -56.46 -53.49 56.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.699 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.79 -39.36 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.554 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.18 -37.79 72.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.781 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.34 -44.82 95.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.453 HG23 ' CE1' ' A' ' 74' ' ' PHE . 78.9 mt -55.67 -48.28 77.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.398 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -58.54 -31.94 68.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 m -74.15 -54.38 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.489 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 26.3 mm-40 -63.7 -47.5 80.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.528 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.84 -28.64 70.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.893 0.378 . . . . 0.0 111.114 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.45 -34.27 77.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 41.6 mtmt -66.57 -19.61 65.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.091 0.472 . . . . 0.0 110.583 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.465 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 29.3 m -86.03 69.96 10.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.494 . . . . 0.0 110.371 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -125.98 17.02 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.641 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.18 -164.56 37.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.435 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -62.18 -37.13 84.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.663 0.268 . . . . 0.0 111.538 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.42 42.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.691 0.758 . . . . 0.0 109.678 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.57 -53.8 36.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.677 -174.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.551 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -68.53 -33.68 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -66.48 -42.56 87.27 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.48 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 13.4 mm100 -63.52 -41.88 98.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 175.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 87.1 mttt -55.31 -47.59 75.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 110.147 175.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 29.7 m -67.0 -35.15 79.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.249 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -76.68 -30.1 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.081 0.467 . . . . 0.0 110.9 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' CE1' HG23 ' A' ' 55' ' ' ILE . 6.2 t80 -65.05 -30.73 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.564 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 88.5 mttt -55.74 -50.18 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.476 172.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -65.54 -33.48 76.02 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.034 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.8 m -59.7 -48.43 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.01 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.59 -35.07 71.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.527 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.4 tm0? -52.59 -47.3 67.01 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.214 0.53 . . . . 0.0 110.468 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.23 21.35 38.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.303 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.69 -51.1 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.01 0.48 24.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.482 0.658 . . . . 0.0 111.514 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 p -86.74 -12.52 47.96 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.41 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.0 4.14 35.81 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.129 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.45 -134.63 6.95 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 tt -170.86 -29.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.716 0.294 . . . . 0.0 110.876 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.91 -34.08 74.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.41 16.6 57.28 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.044 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -81.63 122.99 28.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.37 -145.14 10.03 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.448 ' HA ' HG11 ' A' ' 95' ' ' VAL . 3.1 p -68.08 -4.09 12.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 0.0 111.357 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -80.17 -27.63 38.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -143.85 -27.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.91 101.2 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.448 HG11 ' HA ' ' A' ' 91' ' ' SER . 3.1 m -136.55 144.09 33.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.291 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.537 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 34.9 p -96.1 115.77 27.95 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.241 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.0 p -73.09 56.97 0.46 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.476 0.655 . . . . 0.0 110.118 172.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.537 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 78.2 m -112.79 107.85 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.852 -175.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -164.45 -177.97 37.52 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -115.65 101.27 8.69 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.46 -17.34 53.68 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.294 178.037 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.307 -0.317 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.51 158.34 36.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.381 . . . . 0.0 111.461 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.7 ttt -143.59 136.48 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.66 178.28 18.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.263 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.49 170.1 13.35 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 123.108 2.538 . . . . 0.0 112.1 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.523 ' HB2' ' CB ' ' A' ' 10' ' ' GLU . 54.4 pttt -61.97 135.94 57.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 39.0 m -103.03 -165.13 1.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.008 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' HB2' HD11 ' A' ' 41' ' ' LEU . 55.0 mttp -51.94 -46.6 64.76 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 123.533 0.521 . . . . 0.0 111.59 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -61.45 -39.78 92.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 -178.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.5 mm-40 -72.82 -42.14 64.14 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 70.2 mt -66.11 -34.69 78.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.593 HD23 HG22 ' A' ' 48' ' ' ILE . 59.4 tp -80.22 -39.86 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HA ' HD11 ' A' ' 16' ' ' LEU . 12.5 ptm180 -65.84 -19.11 65.76 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.636 0.255 . . . . 0.0 110.394 -177.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 51.4 mt-10 -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.767 0.794 . . . . 0.0 109.862 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -96.77 15.19 22.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.37 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 95.3 mt -110.28 163.73 13.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.634 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 3.2 p -81.34 169.75 16.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.8 -33.54 74.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.628 0.727 . . . . 0.0 109.556 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.55 -44.23 96.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.671 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 11.9 mm-40 -66.28 -43.39 86.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 17' ' ' SER . 85.6 mttt -57.92 -35.23 70.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -47.21 79.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.24 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -85.55 -13.48 48.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.03 0.443 . . . . 0.0 111.054 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.1 tm? -62.04 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 171.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.71 -35.66 76.87 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.651 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -59.35 -45.05 92.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.476 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 20.8 mt -64.74 -25.75 68.06 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -61.75 -34.73 76.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -81.4 -42.66 20.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.838 171.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 27' ' ' LEU . . . -56.04 -55.5 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.924 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 36' ' ' GLU . 4.4 mm? -59.36 -31.31 69.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.563 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.64 4.98 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -82.63 120.09 25.11 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 171.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.54 -28.25 69.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 -37.2 94.44 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.381 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HB3' HD13 ' A' ' 31' ' ' LEU . 11.6 mm-40 -72.85 -24.72 60.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.044 0.45 . . . . 0.0 110.935 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 73.8 t80 -75.79 -34.32 60.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.479 -0.564 . . . . 0.0 109.479 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -59.96 -43.72 94.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.51 0.671 . . . . 0.0 109.736 172.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 52.5 tptt -51.53 -44.51 62.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.829 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.545 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 73.0 t80 -62.3 -38.91 91.24 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.918 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 51.0 mt -72.16 -11.63 60.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.133 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.74 35.61 4.63 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.115 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -115.63 178.97 4.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 13.9 t70 -67.41 139.78 57.14 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.31 -42.35 52.54 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.624 0.578 . . . . 0.0 111.336 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -72.63 -33.62 66.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.385 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 44' ' ' ASP . 41.1 mtmt -75.65 -34.94 60.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 12' ' ' LEU . 73.2 mt -62.21 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.958 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.2 mttt -65.29 -37.13 86.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.47 -178.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -65.49 -40.41 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.467 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.27 -53.36 54.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.07 -46.11 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.8 -38.44 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.68 -44.34 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.598 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 51' ' ' ALA . 81.5 mt -53.56 -45.77 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.33 -41.37 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.924 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.1 t -57.7 -48.75 78.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.431 . . . . 0.0 110.808 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -70.26 -41.88 72.88 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD21 ' HG2' ' A' ' 71' ' ' LYS . 42.4 mt -71.78 -20.59 61.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.298 0.571 . . . . 0.0 110.359 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.72 -28.4 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.482 0.658 . . . . 0.0 109.57 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.21 84.09 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.778 -172.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -131.28 15.89 5.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.064 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -151.08 26.35 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.785 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -81.17 -7.22 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 110.766 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -92.57 -0.27 57.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.749 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -58.53 -62.14 2.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -166.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -41.17 86.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.174 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -69.44 -47.14 64.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.475 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -62.48 -37.18 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.489 ' HG2' HD21 ' A' ' 59' ' ' LEU . 96.9 mttt -57.63 -49.63 75.8 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.312 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.401 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 31.3 m -64.62 -39.21 93.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.369 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -76.02 -30.67 58.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.866 0.365 . . . . 0.0 110.755 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.5 ' O ' HG21 ' A' ' 78' ' ' VAL . 8.6 t80 -64.59 -33.56 76.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.854 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.483 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 91.7 mttt -52.55 -43.08 64.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.836 175.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -70.64 -36.85 73.64 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.726 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.8 m -65.69 -42.89 90.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.676 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.509 HG11 HD22 ' A' ' 27' ' ' LEU . 62.5 t -68.29 -31.66 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 73.9 mt-30 -55.74 -47.35 77.08 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 110.597 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.85 7.66 53.96 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.312 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.09 -50.79 2.93 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.6 0.238 . . . . 0.0 111.015 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.9 mt -74.19 -33.6 63.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.293 0.568 . . . . 0.0 112.029 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 t -75.59 -27.42 58.52 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.902 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.65 -48.59 5.8 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.648 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.13 116.94 0.42 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.284 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.0 tt -72.96 -12.76 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.576 0.703 . . . . 0.0 110.07 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.53 -17.32 64.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.186 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.29 30.12 4.61 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.424 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -84.1 121.79 27.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.22 -156.34 15.02 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.002 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -77.92 0.4 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.451 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -84.88 -38.28 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -118.34 -12.08 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.19 105.69 5.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.814 0.34 . . . . 0.0 111.286 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.41 149.19 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.65 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 16.8 p -92.93 118.62 31.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 p -71.6 47.24 0.13 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.328 0.585 . . . . 0.0 111.065 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.65 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 84.4 m -93.99 32.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.93 24.5 26.22 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.62 151.94 20.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.289 -0.456 . . . . 0.0 110.188 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.14 -44.58 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.247 0.946 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.024 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 6' ' ' LYS . . . -160.54 127.73 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.296 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.418 ' HE2' ' HB2' ' A' ' 3' ' ' MET . 4.0 ppp? -113.48 -30.37 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.273 0.559 . . . . 0.0 109.548 174.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -112.2 3.67 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.1 159.33 37.45 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.471 2.114 . . . . 0.0 110.03 167.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HE2' HD21 ' A' ' 11' ' ' LEU . 19.9 ptmt -65.99 142.13 57.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.081 0.467 . . . . 0.0 110.411 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -71.27 168.26 17.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.096 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HZ3' ' CG ' ' A' ' 38' ' ' ASP . 98.0 mttt -63.95 -36.08 82.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.924 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.14 -32.11 72.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.724 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.85 -28.6 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.88 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.513 HD21 ' HE2' ' A' ' 6' ' ' LYS . 28.6 mt -78.92 -49.67 12.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 175.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.656 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 49.8 tp -65.06 -39.68 93.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.857 -175.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptm180 -59.92 -27.68 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 111.187 -176.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' CD ' ' HZ3' ' A' ' 6' ' ' LYS . 11.2 mt-10 -68.65 -32.51 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 0.0 110.263 177.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 6.8 mtpm? -95.34 2.11 54.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.444 -176.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 84.9 mt -97.66 177.46 5.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.497 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 73.3 p -82.98 -176.51 6.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.9 -41.21 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.186 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -44.3 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.599 0.238 . . . . 0.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.2 mt-30 -57.25 -30.78 64.93 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.5 mttt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 110.633 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 45.9 m80 -70.82 -23.78 62.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.7 mt -62.79 -51.34 67.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 170.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.86 -32.93 73.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.521 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -63.22 -46.46 86.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.862 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.86 -32.28 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HZ2' ' HB2' ' A' ' 28' ' ' LYS . 4.2 ttmp? -56.41 -43.6 79.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.997 175.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.39 -37.56 51.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.127 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.42 94.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.096 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD21 ' HG2' ' A' ' 79' ' ' GLN . 95.2 mt -77.37 -41.7 39.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.399 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.24 13.36 67.3 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.687 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 54.6 t-20 -139.17 129.84 26.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.63 -45.24 89.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.597 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.86 92.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.802 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.683 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 14.4 mm-40 -68.33 -37.41 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.824 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.647 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.5 t80 -74.52 -40.74 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.432 ' CG ' ' HZ3' ' A' ' 8' ' ' LYS . 17.2 t70 -53.06 -45.54 68.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.172 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.683 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 51.2 pttt -62.44 -26.99 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.787 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CE1' HG22 ' A' ' 48' ' ' ILE . 90.5 t80 -69.45 -41.58 76.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 37' ' ' PHE . 2.1 mm? -66.14 -23.39 66.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.324 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.65 42.33 3.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.504 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -127.28 179.37 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.504 ' O ' HG13 ' A' ' 48' ' ' ILE . 26.0 t70 -62.12 128.79 37.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.957 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.46 -36.07 68.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.692 0.282 . . . . 0.0 111.452 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.484 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 40.7 m -73.02 -29.9 63.36 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.246 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.55 -39.92 57.53 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.621 HG21 HD22 ' A' ' 12' ' ' LEU . 72.4 mt -60.62 -52.34 62.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.218 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.462 ' HE2' HD21 ' A' ' 16' ' ' LEU . 99.5 mttt -61.1 -34.61 75.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.353 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.6 m -67.97 -45.44 74.19 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.415 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.2 -49.2 77.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.63 -40.48 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.408 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.36 -35.5 75.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.11 -44.87 87.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 51' ' ' ALA . 80.6 mt -52.49 -46.92 48.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 65.7 tttp -58.82 -49.66 76.86 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.645 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -51.49 -36.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.528 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 66.3 mm-40 -87.99 -49.59 6.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.607 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -67.41 -27.4 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.781 0.324 . . . . 0.0 111.663 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 4.0 t70 -70.31 -13.62 62.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.713 -177.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.46 -36.94 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.366 0.603 . . . . 0.0 110.262 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 67' ' ' ALA . 2.8 m -96.57 99.54 11.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.646 -172.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -125.19 0.65 7.82 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.696 0.284 . . . . 0.0 111.064 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.61 -175.68 48.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.112 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -69.1 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.729 0.412 . . . . 0.0 111.358 -177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.48 -12.23 61.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.654 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -64.71 -23.27 67.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.034 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 17.9 t70 -58.18 -42.11 85.36 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.388 -175.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.47 -32.72 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 110.377 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.41 -31.29 68.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.994 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.654 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 78.5 mttt -64.58 -41.04 96.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.507 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 22.0 m -64.51 -31.77 73.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.562 175.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.447 ' HA ' HE21 ' A' ' 76' ' ' GLN . 27.7 m -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.189 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' O ' HG21 ' A' ' 78' ' ' VAL . 13.1 t80 -63.24 -29.95 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.408 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 88.7 mttt -54.09 -47.14 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.479 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.447 HE21 ' HA ' ' A' ' 73' ' ' THR . 44.4 mt-30 -70.33 -34.99 73.32 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.197 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.448 HG21 ' HA ' ' A' ' 94' ' ' ALA . 26.8 m -60.5 -45.48 93.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.682 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 74' ' ' PHE . 69.1 t -67.69 -39.24 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.508 ' HG2' HD21 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.21 -45.04 84.19 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.252 177.394 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.55 -27.23 67.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.643 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.95 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.834 0.35 . . . . 0.0 111.08 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.8 mt -77.3 5.42 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.181 0.515 . . . . 0.0 111.475 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -84.29 -21.56 31.0 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.7 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.36 16.73 21.91 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.872 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.46 155.88 12.64 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.575 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -91.21 -17.61 7.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 110.344 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.64 -41.28 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.445 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.97 3.72 85.77 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.108 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -71.17 122.86 20.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.26 -151.32 15.28 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.756 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.1 -0.74 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.406 . . . . 0.0 111.78 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -72.81 -22.0 60.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.723 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -146.17 -48.45 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.801 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HA ' HG21 ' A' ' 77' ' ' THR . . . -83.2 98.5 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.0 111.524 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 58' ' ' GLU . 2.5 m -142.96 149.97 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.469 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.9 p -98.01 114.73 26.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.703 0.764 . . . . 0.0 111.315 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 p -78.72 24.85 0.28 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.939 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.33 113.03 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.69 -117.05 0.71 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.342 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -140.69 163.36 33.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.937 0.398 . . . . 0.0 110.979 -175.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.87 -39.46 0.82 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.313 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.126 -0.39 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.33 163.72 12.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 tpt -75.35 98.65 3.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.292 176.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.31 166.85 32.3 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.109 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -86.52 -169.38 0.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.945 2.43 . . . . 0.0 112.472 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' HE2' HD22 ' A' ' 11' ' ' LEU . 48.1 mtpt -84.53 136.95 33.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.229 0.538 . . . . 0.0 110.844 176.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.5 m -81.59 168.73 17.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.021 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -53.82 -42.53 68.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.59 -39.44 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 6.8 mm-40 -69.78 -44.82 69.34 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD22 ' HE2' ' A' ' 6' ' ' LYS . 61.7 mt -69.25 -37.32 77.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.327 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.602 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.8 tp -67.48 -39.85 85.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.371 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 46.4 mtt85 -54.98 -34.14 63.11 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 111.14 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 31.8 mt-10 -69.82 -25.44 63.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' HZ3' ' CD ' ' A' ' 45' ' ' GLU . 5.4 mtpm? -102.01 -3.7 27.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.517 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 56.5 mt -100.03 166.35 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.503 0.668 . . . . 0.0 111.382 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 29.6 t -79.57 174.5 11.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.854 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.07 -36.46 61.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.247 0.546 . . . . 0.0 110.327 -172.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.09 -39.33 86.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.361 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.25 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.81 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.6 mttt -63.76 -40.15 96.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.386 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 m -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.755 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 51.2 m80 -76.69 -16.78 59.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 15.9 mt -68.35 -48.45 64.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.31 -40.0 94.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -64.4 -47.5 78.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.566 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.0 tp -67.22 -32.43 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.004 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.59 -39.59 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.568 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.51 -50.14 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.15 -37.34 64.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.18 -45.24 3.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.748 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -95.54 124.29 39.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 110.712 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.47 -35.91 78.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.696 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.14 -35.18 91.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.557 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -77.83 -27.32 49.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.054 0.454 . . . . 0.0 110.465 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.509 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 47.9 t80 -73.42 -33.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.6 t70 -55.97 -43.87 77.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.67 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -51.9 30.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.505 176.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.6 t80 -63.97 -40.4 96.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 87.3 mt -66.87 -17.42 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.687 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 23.29 36.06 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.772 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -104.98 175.23 5.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.437 . . . . 0.0 111.616 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.37 138.75 58.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.128 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' CD ' ' HZ3' ' A' ' 15' ' ' LYS . 29.6 mt-10 -54.97 -37.04 66.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.834 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -62.75 -36.46 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.318 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.9 -37.96 19.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.243 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.584 HG22 HD23 ' A' ' 12' ' ' LEU . 71.5 mt -60.05 -53.14 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.01 176.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.503 ' HE2' HD22 ' A' ' 16' ' ' LEU . 98.9 mttt -62.91 -31.25 72.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.671 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -70.04 -45.37 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.9 -42.67 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.1 -38.84 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -65.54 -46.08 80.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.436 HG23 ' CE1' ' A' ' 74' ' ' PHE . 86.5 mt -54.32 -46.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 77.3 tttt -58.07 -33.97 69.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.173 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 m -74.75 -50.36 17.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.511 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.515 ' HA ' ' HZ2' ' A' ' 61' ' ' LYS . 27.4 mm-40 -66.12 -48.36 71.09 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.194 -0.203 . . . . 0.0 111.322 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD13 ' HG2' ' A' ' 71' ' ' LYS . 25.6 tp -58.8 -26.01 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.35 -175.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.9 -29.29 66.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.675 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.515 ' HZ2' ' HA ' ' A' ' 58' ' ' GLU . 51.2 mttp -71.22 -26.91 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.81 0.338 . . . . 0.0 111.833 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.0 m -97.37 72.01 2.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.516 . . . . 0.0 110.893 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.64 13.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.01 -144.77 14.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.81 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.05 -29.0 67.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.101 0.477 . . . . 0.0 110.986 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' OD2' ' HA ' ' A' ' 100' ' ' ASN . 1.9 p30 -100.93 15.82 27.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.096 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -55.4 -67.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -166.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -62.94 -31.14 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.578 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -71.2 -40.75 70.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.661 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.6 mm100 -70.59 -34.51 72.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.72 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 90.4 mttt -55.35 -47.44 75.72 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 109.6 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.434 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 29.7 m -62.99 -35.11 79.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.874 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.429 ' HA ' HE21 ' A' ' 76' ' ' GLN . 31.6 m -75.19 -35.21 61.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.138 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.436 ' CE1' HG23 ' A' ' 55' ' ' ILE . 7.5 t80 -64.93 -29.37 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.062 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 97.7 mttt -57.77 -35.66 71.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.186 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.429 HE21 ' HA ' ' A' ' 73' ' ' THR . 48.2 mt-30 -75.08 -36.02 61.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.9 m -63.4 -46.22 87.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.725 178.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 74' ' ' PHE . 61.1 t -59.62 -35.59 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -56.22 -43.78 78.89 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 111.051 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.37 -18.37 79.95 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.157 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.504 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . . . -73.87 -54.85 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.584 0.231 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 82' ' ' LEU . 2.7 mm? -75.77 -0.95 22.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.302 0.572 . . . . 0.0 111.585 -178.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -77.41 -24.42 50.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.398 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.61 25.67 20.48 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.2 134.87 5.79 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.719 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 tt -65.51 -19.89 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.288 0.566 . . . . 0.0 110.752 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.92 -16.53 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.72 20.54 36.41 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -85.85 119.31 26.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.32 -163.4 28.23 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.271 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 m -73.63 5.95 3.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.45 . . . . 0.0 111.454 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -93.31 -19.73 21.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 110.634 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.504 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 28.1 p-10 -137.83 -37.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.693 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.48 96.31 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.566 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.16 147.57 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 111.331 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.499 HG21 ' HB3' ' A' ' 58' ' ' GLU . 8.3 p -89.26 108.72 19.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.114 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.5 p -81.53 29.28 0.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.661 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 58.6 m -71.88 99.04 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.024 -176.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.05 100.33 1.46 Allowed Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.412 ' HA ' ' OD2' ' A' ' 66' ' ' ASP . 23.4 p30 -71.21 -15.45 62.46 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -173.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.55 38.21 0.18 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 177.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.801 -175.264 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.57 117.41 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.894 0.378 . . . . 0.0 110.522 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.0 ptp -93.42 24.99 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.12 -172.28 39.22 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.954 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -78.59 -168.83 0.67 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.819 2.346 . . . . 0.0 112.224 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -56.45 110.48 0.78 Allowed 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.429 0.633 . . . . 0.0 110.074 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.0 168.64 19.4 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.248 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.25 -44.29 75.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.43 -35.8 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 4.8 mm-40 -71.61 -17.02 62.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.551 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -99.32 -43.48 6.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.139 0.495 . . . . 0.0 109.993 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.713 HD21 HG23 ' A' ' 48' ' ' ILE . 59.9 tp -64.3 -40.65 96.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.953 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.503 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 8.0 ptm180 -60.82 -29.66 69.61 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.37 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.99 -32.77 71.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -85.54 -1.88 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.585 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.6 mt -95.71 176.72 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.194 0.521 . . . . 0.0 111.537 -176.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.659 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.9 m -88.13 169.44 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.665 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.53 -35.29 75.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.421 . . . . 0.0 110.416 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.43 -56.68 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 82.5 mt-30 -58.77 -36.95 75.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.105 -173.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.4 mttt -59.98 -37.84 80.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.037 0.446 . . . . 0.0 110.928 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 m -70.61 -36.06 73.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.491 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 49.1 m80 -77.06 -21.13 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.318 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.548 HD21 ' CZ ' ' A' ' 37' ' ' PHE . 4.4 mt -62.93 -47.08 84.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 33.1 t70 -63.36 -41.5 98.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.14 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.09 -49.42 77.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.79 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.134 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.45 -52.83 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 25.3 mm-40 -62.9 -39.49 94.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.872 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.6 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.5 HD22 ' HG2' ' A' ' 79' ' ' GLN . 94.1 mt -75.95 -43.51 44.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.206 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.45 -61.43 4.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.319 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -68.45 132.08 46.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.082 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.99 73.13 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.354 -176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.58 -34.71 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.393 -0.475 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.633 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 32.6 t80 -72.79 -38.69 67.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.527 ' HA ' HD13 ' A' ' 41' ' ' LEU . 14.8 t70 -58.41 -38.89 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.995 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.582 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -51.22 -53.54 34.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.356 176.371 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' CE2' HG21 ' A' ' 48' ' ' ILE . 84.4 t80 -63.17 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.932 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 73.6 mt -65.83 -15.43 62.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.761 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.63 13.7 63.81 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.676 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 25.6 m-85 -93.05 -178.22 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 0.0 111.697 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 48' ' ' ILE . 14.9 t70 -72.26 136.62 46.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.116 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.56 -37.59 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.071 0.232 . . . . 0.0 111.322 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -68.07 -32.4 72.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.995 0.426 . . . . 0.0 110.238 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.47 -37.96 22.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.126 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.713 HG23 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -60.5 -50.92 78.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.224 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HE2' HD23 ' A' ' 16' ' ' LEU . 97.6 mttt -66.06 -33.91 76.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.247 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -67.71 -42.41 82.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.511 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.56 -48.11 82.49 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.13 -41.04 97.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.639 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.44 -40.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -62.11 -44.03 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.5 mt -50.67 -48.56 27.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.798 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 56.8 tttm -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.843 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 m -57.31 -43.95 83.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.525 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 31.7 mm-40 -69.63 -45.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.05 177.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.22 -34.74 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -25.86 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.429 -177.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 53.0 mttm -68.37 -28.66 67.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.269 0.557 . . . . 0.0 110.575 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.418 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 3.8 m -89.34 87.58 7.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.913 -173.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -140.26 103.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.843 0.83 . . . . 0.0 109.144 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.428 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 167.02 -160.38 34.05 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.715 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -69.8 -27.63 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.292 0.546 . . . . 0.0 111.684 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.1 m-20 -93.36 0.65 56.98 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB3' ' H ' ' A' ' 64' ' ' GLY . . . -55.54 -43.56 75.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.13 -48.09 71.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.505 0.669 . . . . 0.0 110.953 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -72.27 -45.05 61.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.456 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.605 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.1 mm100 -60.54 -45.63 93.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.311 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.57 -39.92 95.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 0.0 110.19 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -64.27 -47.08 80.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.091 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.2 m -70.18 -24.47 63.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 111.117 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 t80 -66.69 -30.78 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 93.4 mttt -56.02 -39.51 72.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -71.31 -39.77 71.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.462 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.4 m -60.45 -48.18 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.774 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.2 t -63.65 -34.06 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.5 ' HG2' HD22 ' A' ' 31' ' ' LEU . 63.9 mt-30 -55.52 -38.65 69.51 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.75 6.62 83.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.95 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.688 ' HB1' HD21 ' A' ' 82' ' ' LEU . . . -97.23 -55.78 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.688 HD21 ' HB1' ' A' ' 81' ' ' ALA . 1.4 mm? -88.89 24.57 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.629 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -64.79 -35.59 81.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.167 0.508 . . . . 0.0 110.047 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.25 72.17 0.1 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.982 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.87 108.4 0.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.113 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.0 tt -91.3 -22.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.72 103.16 8.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.16 -10.79 6.19 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -171.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.475 ' CD2' HD13 ' A' ' 82' ' ' LEU . 13.5 t80 -66.14 115.43 6.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' A' ' 92' ' ' ASN . . . -179.79 -152.19 10.57 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -75.04 13.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.009 0.433 . . . . 0.0 111.539 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 90' ' ' GLY . 12.8 m120 -99.75 -40.23 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -119.8 -13.75 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.68 98.02 3.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.727 0.298 . . . . 0.0 110.75 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 4.0 m -136.93 144.29 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.701 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 21.0 p -97.79 115.84 28.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 171.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -75.31 51.92 0.58 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.447 0.641 . . . . 0.0 110.228 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.701 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 74.6 m -100.03 -179.37 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.885 -172.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.45 -170.31 41.57 Favored Glycine 0 N--CA 1.44 -1.043 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.23 149.92 23.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.021 0.41 . . . . 0.0 110.054 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.69 62.28 4.16 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.014 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.971 -178.633 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.07 122.32 46.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -142.25 143.22 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.295 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 -169.45 19.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.086 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -67.41 140.69 53.48 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 111.416 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' HA ' ' OE2' ' A' ' 10' ' ' GLU . 60.4 pttt -61.34 119.37 8.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.86 0.838 . . . . 0.0 111.585 -173.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -95.4 -177.91 4.25 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.635 -177.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -59.62 -25.21 64.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.849 -0.159 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.02 -38.58 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.298 177.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.626 ' OE2' ' HA ' ' A' ' 6' ' ' LYS . 22.0 mt-10 -72.57 -28.11 62.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.007 0.432 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.84 -33.48 64.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.0 173.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.596 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.0 tp -71.13 -32.02 68.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 49.3 mtt180 -56.65 -34.14 67.02 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.77 -24.7 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.861 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.996 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 74.5 mt -102.5 175.02 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 112.019 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.471 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.0 p -96.12 -176.78 3.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.288 171.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.6 -36.21 65.48 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.299 0.571 . . . . 0.0 110.732 -169.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -65.9 -43.82 87.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.334 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 94.3 mt-30 -66.45 -36.15 82.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.592 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 87.5 mttt -62.25 -31.11 71.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.084 0.469 . . . . 0.0 110.462 176.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -70.52 -37.49 74.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.106 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.674 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 38.5 m80 -70.49 -29.71 66.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.109 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 24' ' ' LEU . 15.4 mt -61.3 -49.3 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 173.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.74 -47.18 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.62 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -59.73 -50.95 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.694 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.89 -35.55 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -55.45 -49.62 71.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.385 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -77.99 -30.09 49.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.752 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.54 -51.86 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.519 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.57 -38.01 77.2 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.125 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.2 -1.08 61.34 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.586 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -132.07 115.52 15.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 1.5 m-20 -63.76 -21.28 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.047 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.55 -47.71 33.15 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.751 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.66 -37.77 70.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.324 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -65.72 -35.46 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 20.4 t70 -58.45 -39.07 78.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.141 0.496 . . . . 0.0 110.902 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.85 -32.27 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.256 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CE2' HG22 ' A' ' 48' ' ' ILE . 72.0 t80 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.13 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 9' ' ' GLU . 2.6 mm? -70.41 -27.16 64.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.22 3.24 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.15 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.17 -177.3 4.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.522 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 39.2 t0 -68.59 129.33 39.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.61 174.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -52.79 -35.64 57.03 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.215 0.322 . . . . 0.0 110.789 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -64.96 -39.48 93.55 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.044 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 38.0 mttp -76.45 -38.36 55.54 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.305 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.603 HG22 ' CE2' ' A' ' 40' ' ' PHE . 73.4 mt -59.63 -55.16 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.005 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.515 ' HE2' HD21 ' A' ' 16' ' ' LEU . 96.5 mttt -65.54 -31.74 72.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.62 -177.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -72.54 -39.46 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.21 -47.9 84.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 177.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.67 -42.94 97.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.074 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 9.1 t70 -69.75 -27.71 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -177.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.38 -47.65 69.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.479 HG23 HD23 ' A' ' 59' ' ' LEU . 76.6 mt -53.6 -43.38 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.674 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 80.6 tttt -56.56 -48.74 76.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.259 176.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.9 m -64.92 -44.35 89.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.627 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 37.1 mm-40 -61.7 -41.46 97.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.479 HD23 HG23 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -61.64 -29.81 70.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.557 178.368 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -74.33 -22.51 59.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.627 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 46.4 mtpt -73.41 -27.45 61.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.66 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 5.9 m -98.07 100.85 12.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -139.83 24.41 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.658 0.266 . . . . 0.0 111.617 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.22 -152.22 28.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.568 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -78.25 -16.19 58.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.637 0.732 . . . . 0.0 109.652 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.0 p-10 -98.81 9.93 42.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.126 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.21 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.981 0.419 . . . . 0.0 111.707 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.88 -34.13 74.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.43 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -72.77 -39.05 67.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.2 mm100 -68.41 -33.53 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.465 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.68 -33.98 68.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.257 0.551 . . . . 0.0 110.149 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.549 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 34.8 m -79.45 -40.69 29.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.009 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.5 m -69.18 -32.25 71.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.113 0.483 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.452 ' O ' HG22 ' A' ' 78' ' ' VAL . 16.6 t80 -65.28 -24.01 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.971 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 72' ' ' THR . 94.9 mttt -59.59 -39.28 83.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.319 0.581 . . . . 0.0 110.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.23 -35.5 71.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.201 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.1 m -60.35 -47.67 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.55 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 74' ' ' PHE . 56.8 t -64.87 -35.62 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.079 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -54.92 -37.27 66.17 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 111.165 175.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.72 -20.32 51.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.67 -40.97 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.658 0.266 . . . . 0.0 111.466 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.1 mt -91.6 36.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.447 . . . . 0.0 110.428 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -77.37 38.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.841 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.13 -11.81 10.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.822 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.27 129.5 6.1 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.779 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.54 -26.42 3.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.865 0.364 . . . . 0.0 110.799 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.84 -16.89 60.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.613 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.21 10.65 54.85 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -85.94 121.64 28.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.004 0.43 . . . . 0.0 109.967 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.11 -148.84 15.3 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.327 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 t -68.37 -1.38 6.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -81.57 -26.87 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -146.3 -21.33 0.44 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -129.61 104.67 7.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.53 143.46 36.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.66 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 8.7 p -79.95 101.38 8.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.571 0.701 . . . . 0.0 110.432 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.6 t -78.62 35.44 0.24 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.951 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.436 ' H ' ' C ' ' A' ' 96' ' ' THR . 35.7 m -78.76 -47.48 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.214 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.2 115.36 0.42 Allowed Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -141.9 135.64 29.67 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.803 0.335 . . . . 0.0 110.114 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.3 60.88 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.861 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.23 178.561 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.57 -69.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.669 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.23 -5.62 13.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.48 -130.89 3.28 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.153 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -84.56 175.84 6.76 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.229 2.619 . . . . 0.0 112.086 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -62.44 136.07 57.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.595 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -115.43 -169.43 1.57 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.22 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' HG3' ' OD2' ' A' ' 38' ' ' ASP . 27.6 mmtp -47.36 -45.69 25.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.199 0.523 . . . . 0.0 111.042 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' HA ' HD13 ' A' ' 41' ' ' LEU . 7.2 pt-20 -58.03 -45.11 87.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.417 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 3.6 mm-40 -67.8 -38.15 82.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -175.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 68.0 mt -59.9 -36.43 76.96 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.47 0.481 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.877 HD21 HG23 ' A' ' 48' ' ' ILE . 52.4 tp -83.42 -36.94 23.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.791 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 20.1 mtp180 -60.23 -24.55 64.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.26 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.0 mt-10 -58.5 -35.84 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.405 0.621 . . . . 0.0 110.113 173.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -103.1 11.77 36.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.292 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 89.9 mt -117.9 166.26 12.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.623 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 52.5 p -87.95 175.59 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.23 -36.24 83.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 110.012 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.53 -54.15 47.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.2 mt-30 -65.18 -31.53 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.959 -173.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.623 ' HG3' ' O ' ' A' ' 17' ' ' SER . 89.5 mttt -65.5 -38.06 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.6 m -70.67 -36.1 73.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -71.44 -20.98 62.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 24' ' ' LEU . 15.6 mt -70.68 -44.31 67.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.08 -34.58 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.062 0.458 . . . . 0.0 110.07 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.64 -47.79 77.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.337 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.454 HD23 HG12 ' A' ' 78' ' ' VAL . 3.4 mt -63.6 -33.02 74.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.288 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.23 -40.9 78.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.567 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.44 -35.46 46.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.732 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.545 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -56.41 -56.79 16.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 4.0 mm? -64.27 -38.07 89.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.327 173.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.75 24.42 75.49 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -159.76 124.0 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.9 -32.51 73.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.998 0.427 . . . . 0.0 110.028 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.98 -36.56 91.16 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 178.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -79.29 -33.88 42.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.57 ' O ' HD23 ' A' ' 41' ' ' LEU . 21.8 t80 -69.3 -35.29 75.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.562 ' OD2' ' HG3' ' A' ' 8' ' ' LYS . 25.0 t70 -50.04 -42.51 49.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.19 174.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.5 tpmt? -52.12 -34.45 44.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.65 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CE1' HG21 ' A' ' 48' ' ' ILE . 88.0 t80 -73.52 -39.13 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.339 0.59 . . . . 0.0 110.246 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.8 mm? -66.03 -26.63 67.61 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.953 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.69 37.16 3.38 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.759 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -117.92 -174.29 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.234 0.54 . . . . 0.0 111.007 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.503 ' O ' HG13 ' A' ' 48' ' ' ILE . 33.3 t70 -74.29 135.44 42.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.512 178.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -55.66 -41.33 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.142 0.276 . . . . 0.0 111.436 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.464 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 19.1 m -69.36 -27.52 65.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.649 0.261 . . . . 0.0 110.385 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.63 -39.86 21.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.062 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.877 HG23 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -61.44 -50.61 79.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.536 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.42 -35.42 79.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.7 m -69.48 -42.13 75.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.582 176.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.8 -47.58 84.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.25 -39.61 89.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -46.78 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.338 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 51' ' ' ALA . 73.6 mt -54.05 -49.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.162 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.36 -47.63 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.957 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.565 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -56.8 -55.54 33.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.794 -176.659 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.589 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 70.7 mm-40 -58.65 -49.57 77.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.215 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD13 ' HA ' ' A' ' 71' ' ' LYS . 10.4 tp -65.61 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.163 -174.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.84 -25.4 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.901 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.589 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 7.7 mtmp? -79.03 -2.56 40.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 83.0 m -84.57 89.42 7.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.699 0.762 . . . . 0.0 111.143 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -137.77 100.89 4.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.824 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.23 -152.19 11.83 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.381 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -77.26 -40.37 44.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.852 0.358 . . . . 0.0 111.522 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -103.76 29.13 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.493 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.4 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.648 0.261 . . . . 0.0 111.421 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.12 -38.97 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.417 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -72.53 -42.5 64.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.1 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.87 -40.43 95.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.964 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.515 ' HA ' HD13 ' A' ' 59' ' ' LEU . 99.7 mttt -66.26 -19.83 65.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.469 . . . . 0.0 110.875 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 m -88.83 -44.05 10.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -69.85 -28.5 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.371 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.43 ' CD1' HD11 ' A' ' 59' ' ' LEU . 5.1 t80 -59.25 -27.76 66.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.577 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 95.5 mttt -58.24 -44.53 88.33 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 22.5 mt-30 -70.71 -35.0 72.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -59.62 -46.59 88.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG12 HD23 ' A' ' 27' ' ' LEU . 58.0 t -67.43 -33.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 8.8 mm-40 -54.72 -50.28 68.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.873 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.65 -19.87 75.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.938 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 94' ' ' ALA . . . -75.86 -39.31 56.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.4 mt -78.26 -5.83 53.17 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.546 0.689 . . . . 0.0 110.252 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -82.97 58.91 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.605 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -14.02 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.436 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.36 142.96 7.14 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -68.16 -24.64 30.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.236 0.541 . . . . 0.0 110.232 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.62 95.99 7.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.5 -11.5 6.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -63.89 116.5 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.05 -160.25 23.17 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.889 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.442 ' HA ' HG13 ' A' ' 95' ' ' VAL . 13.7 p -68.59 -5.37 19.51 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -85.64 -9.85 56.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.398 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -148.33 -32.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.736 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . . . -115.96 102.26 9.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 111.079 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 91' ' ' SER . 2.7 m -136.58 154.54 32.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.142 0.496 . . . . 0.0 111.344 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.563 ' C ' ' H ' ' A' ' 98' ' ' CYS . 40.7 p -97.52 125.8 42.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 165.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -74.03 30.74 0.08 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.826 0.822 . . . . 0.0 110.371 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.588 ' HB3' ' HA ' ' A' ' 62' ' ' CYS . 92.3 m -82.43 91.49 6.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.928 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.45 35.45 0.59 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -91.21 154.2 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.204 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.33 -98.84 0.15 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.422 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.185 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.16 10.6 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.5 mtm -86.63 -7.44 58.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.52 179.39 17.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.599 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -83.46 -163.92 0.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.838 2.359 . . . . 0.0 112.26 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -58.87 122.27 13.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.271 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -75.17 160.54 30.29 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.186 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.07 -37.95 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 178.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.439 ' HA ' HD23 ' A' ' 41' ' ' LEU . 7.6 pt-20 -62.87 -32.95 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.708 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 44.4 mt-10 -72.14 -55.51 7.18 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.336 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 75.0 mt -58.58 -38.77 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.129 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 61.3 tp -69.76 -37.26 76.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.023 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 4.6 ptm180 -77.87 -14.55 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.815 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.7 mt-10 -70.58 -25.38 63.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.466 0.65 . . . . 0.0 109.332 173.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.981 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 13' ' ' ARG . 93.9 mt -107.36 155.46 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.002 -175.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.59 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.1 p -79.21 178.81 7.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.34 -37.2 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.25 0.547 . . . . 0.0 110.215 -169.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -64.5 -45.69 86.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.39 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.1 mm100 -65.4 -32.26 73.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.667 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.59 ' HG3' ' O ' ' A' ' 17' ' ' SER . 98.2 mttt -63.91 -35.64 81.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.098 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.6 m -66.67 -48.62 68.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.2 m80 -70.67 -21.4 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.062 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.19 -51.57 65.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.427 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.4 t70 -65.25 -38.92 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.517 177.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 88.9 t90 -58.25 -44.2 88.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.608 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.04 -30.73 71.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' HE3' ' CD1' ' A' ' 37' ' ' PHE . 2.9 ttmt -60.83 -48.11 83.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.307 175.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.77 -38.36 88.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.24 -49.1 75.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.409 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD22 ' HG2' ' A' ' 79' ' ' GLN . 90.3 mt -74.87 -30.58 61.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.87 -61.22 4.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.42 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.402 HD21 ' HG2' ' A' ' 36' ' ' GLU . 44.3 t30 -80.29 126.42 31.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.78 -34.15 71.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.198 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.26 99.59 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.602 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' HD21 ' A' ' 33' ' ' ASN . 13.2 mm-40 -75.62 -28.14 58.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 40.8 t80 -73.44 -36.7 65.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.874 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.519 ' HA ' HD13 ' A' ' 41' ' ' LEU . 12.3 t70 -57.9 -37.73 74.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.121 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 4.4 tppp? -50.0 -46.92 53.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.642 176.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 84.4 t80 -67.99 -33.32 74.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 38' ' ' ASP . 56.5 mt -74.69 2.83 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.005 -175.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.96 36.48 2.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.196 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.526 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 16.1 m-85 -112.61 -177.73 3.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.272 0.558 . . . . 0.0 112.267 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.548 ' O ' HG13 ' A' ' 48' ' ' ILE . 23.4 t70 -66.14 131.69 46.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.354 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 12.1 mt-10 -55.54 -38.93 69.92 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 111.61 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -72.97 -34.05 66.24 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.288 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 86' ' ' ILE . 64.0 mttp -70.95 -39.5 72.57 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 44' ' ' ASP . 59.7 mt -60.1 -50.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.346 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 33.4 mmtp -57.24 -47.27 81.77 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.559 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.3 m -58.23 -46.13 86.47 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.75 -50.66 73.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.56 -47.31 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.555 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.57 -38.01 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.049 0.452 . . . . 0.0 110.77 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.49 -47.69 77.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.196 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.0 mt -54.18 -45.33 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.107 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.2 -45.16 91.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.0 p -66.36 -44.86 82.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 96' ' ' THR . 62.1 mm-40 -62.24 -43.57 98.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.406 . . . . 0.0 111.016 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.76 -25.75 68.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.36 -17.05 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.37 -36.59 39.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.54 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 8.3 m -90.88 83.05 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 -171.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.401 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 61.8 m-80 -140.21 80.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.126 0.488 . . . . 0.0 110.704 176.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -143.37 -149.86 5.18 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 173.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.66 -27.17 67.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.488 . . . . 0.0 111.016 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.11 20.08 19.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.395 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -58.93 -54.7 44.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.979 0.419 . . . . 0.0 110.986 -173.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.51 -38.47 81.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.015 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -71.63 -46.35 59.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.392 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.612 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 15.1 mm100 -63.76 -41.24 98.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.174 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 65.2 mttm -59.9 -43.16 94.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.097 0.475 . . . . 0.0 110.087 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.539 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 64.5 m -70.28 -27.67 64.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.403 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 44.0 m -74.28 -37.61 63.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.126 176.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.483 ' O ' HG22 ' A' ' 78' ' ' VAL . 15.6 t80 -63.12 -30.95 72.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.453 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.539 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 92.5 mttt -53.9 -42.11 68.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.166 0.508 . . . . 0.0 110.426 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 39.0 mt-30 -74.43 -34.25 63.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.382 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.3 m -62.87 -49.05 76.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 74' ' ' PHE . 61.0 t -64.39 -36.47 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.495 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.485 ' HG2' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.44 -38.46 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.156 0.503 . . . . 0.0 110.894 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.96 6.23 82.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.767 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.511 ' HB3' HD21 ' A' ' 82' ' ' LEU . . . -97.34 -49.79 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.839 0.319 . . . . 0.0 111.453 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 81' ' ' ALA . 2.3 mm? -86.21 9.4 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.439 . . . . 0.0 111.677 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -67.64 -34.8 77.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.388 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.71 30.15 4.27 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.347 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.67 169.73 12.72 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.888 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.523 HG23 ' HD3' ' A' ' 47' ' ' LYS . 15.0 tt -118.58 -2.48 9.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.496 0.665 . . . . 0.0 109.932 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.46 -40.63 85.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.422 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.66 25.3 28.54 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.291 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 82' ' ' LEU . 13.2 t80 -83.78 126.88 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.22 -149.58 15.74 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.577 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -72.91 -0.99 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.031 0.443 . . . . 0.0 110.747 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.81 -29.13 24.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.984 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -134.0 -33.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.71 94.07 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.38 142.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.596 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 6.6 p -73.64 108.4 6.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.157 0.503 . . . . 0.0 110.764 172.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 p -74.44 61.11 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.624 172.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 62.9 m -109.51 50.13 0.8 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.833 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.02 46.15 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -174.69 124.35 0.28 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.867 -0.666 . . . . 0.0 110.155 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.81 -41.74 10.49 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.422 171.595 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.04 -78.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.625 0.25 . . . . 0.0 110.454 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -94.02 -30.12 14.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 0.0 109.983 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.05 -155.12 26.15 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.714 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.59 -160.61 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.955 2.437 . . . . 0.0 112.401 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HD2' HD22 ' A' ' 11' ' ' LEU . 53.7 pttt -56.61 140.35 47.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.071 176.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -92.63 178.25 5.86 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.996 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -62.82 -29.09 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.263 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.2 pt-20 -65.16 -39.97 93.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 2.0 mp0 -57.55 -35.47 70.38 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 110.637 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD22 ' HD2' ' A' ' 6' ' ' LYS . 19.6 mt -79.36 -42.38 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.326 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.725 HD22 HG23 ' A' ' 48' ' ' ILE . 61.6 tp -66.75 -40.34 88.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.604 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 23.0 mtp180 -61.46 -27.36 68.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.026 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 42.6 mt-10 -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -98.49 -5.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 97.4 mt -92.1 164.53 13.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.383 . . . . 0.0 111.079 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.601 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 55.0 p -85.89 178.7 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.035 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -58.61 -48.4 81.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.204 0.526 . . . . 0.0 110.751 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.28 -52.76 64.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.208 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 94.9 mttt -66.89 -46.11 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -77.15 -35.96 55.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 19.2 m80 -66.7 -23.9 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.384 . . . . 0.0 110.76 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.511 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 25.0 tp -69.97 -38.78 76.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.694 177.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.97 -48.21 82.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 172.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -53.56 -47.53 69.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.195 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 31' ' ' LEU . 52.4 tp -58.06 -49.37 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.586 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 23.6 ttpt -56.5 -49.95 73.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.351 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.96 -34.72 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.937 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 -55.6 19.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.91 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 mp -60.84 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.71 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 -63.2 2.39 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.666 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -77.51 132.3 38.32 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.824 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -59.04 -33.75 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.195 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.69 -36.85 93.86 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.691 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.79 -39.99 29.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.995 0.426 . . . . 0.0 110.106 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 28' ' ' LYS . 20.1 t80 -64.37 -34.74 78.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.665 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.47 -50.53 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.556 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.15 -39.74 66.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.384 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.513 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 79.8 t80 -68.57 -40.87 80.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.145 0.498 . . . . 0.0 111.273 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 67.9 mt -65.75 -19.09 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.788 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.55 31.25 8.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.023 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 14.0 m-85 -103.0 -177.62 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.208 0.528 . . . . 0.0 111.728 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.64 133.43 49.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.041 175.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -57.34 -42.23 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -62.49 -23.75 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.17 -40.93 11.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.725 HG23 HD22 ' A' ' 12' ' ' LEU . 79.4 mt -60.75 -53.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.351 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.1 -38.26 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.212 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.4 m -67.29 -40.52 86.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.618 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.7 -47.94 83.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.762 0.315 . . . . 0.0 110.664 177.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.53 -43.14 94.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.31 -29.12 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 0.0 111.063 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.84 -43.08 80.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 51' ' ' ALA . 86.3 mt -54.35 -49.02 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.412 0.625 . . . . 0.0 109.758 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 25.7 tttm -56.74 -39.36 73.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.176 175.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 m -63.69 -46.43 85.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.976 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.74 -40.76 72.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.473 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.69 -25.26 67.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.7 -25.57 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.506 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -74.9 -29.37 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.702 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 3.2 m -109.76 93.55 4.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.533 -173.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HA ' ' HB1' ' A' ' 67' ' ' ALA . 63.3 m-80 -142.24 29.47 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.05 -131.55 7.35 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.389 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -82.21 -6.34 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.845 0.831 . . . . 0.0 109.523 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -98.32 -6.58 30.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.502 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.505 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . . . -55.94 -61.84 2.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.067 -166.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.58 -31.05 71.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.415 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -78.96 -46.83 17.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.194 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.43 -35.94 80.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HE2' ' HB2' ' A' ' 67' ' ' ALA . 65.5 mttm -65.17 -24.39 67.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -83.29 -39.06 21.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.659 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 m -68.65 -36.71 78.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -64.14 -27.55 69.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.76 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 95.0 mttt -55.83 -42.77 76.24 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.133 0.492 . . . . 0.0 110.77 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -70.9 -35.32 72.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.858 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.8 m -66.07 -54.48 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.928 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.52 -36.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 75' ' ' LYS . 13.1 tm0? -48.78 -48.63 41.03 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.17 -18.63 79.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.567 -176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.596 ' HB2' HD22 ' A' ' 82' ' ' LEU . . . -70.05 -57.15 5.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.766 0.317 . . . . 0.0 111.44 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD22 ' HB2' ' A' ' 81' ' ' ALA . 1.9 mm? -79.76 -5.7 55.83 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.195 0.521 . . . . 0.0 112.133 -173.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.506 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -41.76 7.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.306 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.2 143.45 3.73 Favored Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.61 -12.66 10.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.516 0.674 . . . . 0.0 109.623 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.29 -21.63 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.529 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.06 25.78 7.73 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.087 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.483 ' CD2' HD12 ' A' ' 82' ' ' LEU . 23.7 t80 -81.23 136.59 35.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.403 0.62 . . . . 0.0 109.758 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -153.74 24.97 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.929 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -69.97 -2.48 12.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 0.0 110.706 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -70.63 -39.75 73.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.542 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -116.53 -58.3 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.938 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.78 96.97 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.86 136.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.017 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.702 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 2.2 p -79.6 103.84 9.79 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.894 175.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -71.39 65.28 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.53 0.681 . . . . 0.0 110.955 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.7 m -117.17 98.4 6.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.179 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.72 151.82 21.42 Favored Glycine 0 N--CA 1.44 -1.079 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.27 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -127.19 146.59 50.35 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.506 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.79 47.79 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.442 -177.61 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.6 -169.6 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt -75.28 -15.94 60.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.026 0.441 . . . . 0.0 110.456 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.28 -127.5 5.32 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.89 158.63 42.48 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.69 2.26 . . . . 0.0 110.997 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 10' ' ' GLU . 13.9 ptmt -73.55 136.58 44.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.352 0.596 . . . . 0.0 111.498 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -118.14 -163.08 0.92 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.546 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -51.85 -44.51 63.67 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 123.529 0.518 . . . . 0.0 111.067 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' CD ' ' HZ3' ' A' ' 28' ' ' LYS . 7.9 pt-20 -58.24 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 1.8 tm-20 -77.86 -45.85 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.941 -178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 31.2 mt -64.82 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.537 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.628 HD22 HG23 ' A' ' 48' ' ' ILE . 61.6 tp -71.17 -42.46 69.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.15 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.604 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptp180 -67.99 -16.9 64.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.807 -177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.6 mt-10 -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.133 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 6.1 mtpm? -91.51 -6.5 52.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.408 -177.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.0 mt -90.5 155.8 18.64 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.376 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.8 t -73.5 164.84 26.11 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.37 -27.36 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.118 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.81 -27.83 66.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.424 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.505 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 46.0 mt-30 -84.53 -30.84 24.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.616 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.2 mttt -61.63 -35.91 79.26 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.899 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -63.02 -40.64 98.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.049 0.452 . . . . 0.0 111.286 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.507 ' CD2' HD12 ' A' ' 59' ' ' LEU . 59.1 m80 -80.43 -17.17 52.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 35.3 tp -65.89 -49.8 66.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.35 -31.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 90.5 t90 -60.65 -43.99 96.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.935 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.99 -32.2 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HZ3' ' CD ' ' A' ' 9' ' ' GLU . 39.4 ttmt -59.13 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.175 0.512 . . . . 0.0 110.234 176.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.69 -36.91 79.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.77 80.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 37' ' ' PHE . 72.5 mt -73.87 -29.4 62.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.693 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.63 5.61 64.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.54 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -144.2 119.33 10.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.33 -23.0 66.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -72.76 -39.88 54.21 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.275 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.723 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 44.7 mt-10 -79.95 -27.92 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.306 0.574 . . . . 0.0 110.036 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.486 ' HA ' HD13 ' A' ' 31' ' ' LEU . 33.7 t80 -69.36 -26.15 64.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.47 0.652 . . . . 0.0 109.785 173.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.4 t70 -61.29 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.313 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.723 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 ptmt -56.51 -35.89 68.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.063 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.433 ' CE2' HG21 ' A' ' 48' ' ' ILE . 83.3 t80 -69.24 -35.07 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.197 0.522 . . . . 0.0 110.347 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 50.9 mt -73.02 -7.0 49.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.505 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.58 10.48 42.04 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.125 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 13.1 m-85 -89.5 178.22 6.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.905 0.383 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' O ' HG13 ' A' ' 48' ' ' ILE . 15.5 t70 -71.52 141.39 50.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.454 ' CD ' ' HZ3' ' A' ' 15' ' ' LYS . 2.4 mt-10 -56.14 -38.44 70.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.257 0.348 . . . . 0.0 111.241 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.9 m -67.49 -32.28 72.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.458 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 62.6 mttm -79.58 -40.9 28.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.628 HG23 HD22 ' A' ' 12' ' ' LEU . 78.7 mt -59.78 -51.66 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.847 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.51 -39.08 92.37 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.809 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.8 m -61.2 -44.12 97.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.565 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.38 -53.07 58.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.17 -42.25 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.728 -176.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.31 -33.6 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 109.982 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.83 -48.08 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.894 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 51' ' ' ALA . 82.8 mt -53.07 -46.83 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 175.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 15.2 ttpt -57.62 -45.06 85.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.145 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.529 ' CD ' ' HZ3' ' A' ' 61' ' ' LYS . 53.4 mm-40 -65.59 -46.54 79.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD12 ' CD2' ' A' ' 23' ' ' HIS . 48.4 mt -64.2 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.59 0.233 . . . . 0.0 111.506 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.92 -22.55 66.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.38 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HZ3' ' CD ' ' A' ' 58' ' ' GLU . 92.1 mttt -74.8 -17.11 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.536 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 1.2 m -117.91 93.61 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.572 . . . . 0.0 111.779 -175.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -126.26 93.92 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.771 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.6 -170.98 44.15 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.746 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.68 -55.54 6.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.432 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.16 -28.68 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.504 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -62.73 -27.02 68.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.536 -177.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.69 -44.08 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.371 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.95 -39.44 93.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.393 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.13 -43.64 98.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.45 -36.37 76.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.6 m -66.24 -37.79 86.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.495 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -69.94 -31.52 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.429 ' O ' HG21 ' A' ' 78' ' ' VAL . 30.3 t80 -64.33 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.257 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.83 -38.43 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.521 ' HA ' ' HB2' ' A' ' 79' ' ' GLN . 45.2 mt-30 -77.93 -28.71 49.71 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.636 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -65.01 -47.44 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.754 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 74' ' ' PHE . 82.7 t -62.15 -35.07 66.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.25 174.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.521 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 5.1 mm-40 -56.09 -36.75 68.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.305 174.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.09 -0.05 88.9 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.381 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.591 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -94.69 -65.65 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.577 0.227 . . . . 0.0 111.524 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.591 HD22 ' HB1' ' A' ' 81' ' ' ALA . 2.1 mm? -75.85 -1.78 26.93 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -75.95 -38.08 57.94 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.564 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.42 -38.69 7.58 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.07 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.64 152.85 7.05 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.973 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.06 -20.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.044 0.45 . . . . 0.0 110.564 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.89 -10.35 59.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.0 109.863 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.11 10.59 43.92 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.387 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -81.46 120.58 25.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 -161.96 25.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.212 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 p -73.78 -2.84 25.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 111.516 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.21 -36.82 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.518 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -121.21 -13.34 8.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.02 104.74 5.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 111.338 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.09 153.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.546 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.727 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 18.6 p -101.27 113.35 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 110.487 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 p -76.9 53.44 0.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.467 0.651 . . . . 0.0 111.069 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.727 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 63.3 m -81.52 48.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.841 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.48 64.99 1.28 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -76.53 135.12 39.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.293 0.568 . . . . 0.0 111.067 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 156.08 167.14 17.03 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.432 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.933 179.414 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.985 -0.446 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.26 -69.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.769 0.318 . . . . 0.0 110.561 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.16 111.59 22.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.23 -152.9 17.07 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.625 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -85.3 170.32 9.44 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.953 2.435 . . . . 0.0 111.814 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -65.63 134.53 53.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.502 ' HG ' ' CD ' ' A' ' 9' ' ' GLU . 13.6 p -95.99 -173.53 2.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.242 -169.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.61 -39.4 73.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' CD ' ' HG ' ' A' ' 7' ' ' SER . 4.5 pm0 -64.03 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.212 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 35.3 mt-10 -72.0 -28.96 63.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 120.699 0.285 . . . . 0.0 110.805 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 56.8 mt -76.09 -38.44 56.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 175.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD21 HG21 ' A' ' 48' ' ' ILE . 65.7 tp -68.65 -41.19 79.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.172 -178.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.543 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.6 -16.37 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.504 -177.279 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.4 mt-10 -72.35 -29.83 64.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -98.22 2.95 48.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.931 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.778 HD21 ' HZ2' ' A' ' 49' ' ' LYS . 57.7 mt -96.85 172.41 7.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.614 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.4 m -80.84 170.9 15.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.458 173.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.94 -36.9 85.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.309 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 -48.23 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.769 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm100 -58.38 -32.76 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.585 -177.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.4 mttt -58.18 -41.47 83.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.106 0.479 . . . . 0.0 111.034 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -71.92 -40.46 68.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.777 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 39.4 m80 -70.3 -28.34 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.15 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -51.96 65.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.279 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 22.7 t70 -70.23 -30.58 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.171 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -56.65 -46.98 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 174.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD13 HG13 ' A' ' 78' ' ' VAL . 43.5 tp -62.71 -36.43 82.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.516 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -58.41 -47.33 84.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.159 176.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 37.0 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.686 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.91 91.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.865 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.38 -45.65 30.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.57 12.55 83.66 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.258 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -139.05 124.18 19.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 5.0 p-10 -64.79 -36.04 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.66 -42.54 93.27 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 113.042 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -71.62 -39.26 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 110.446 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -69.7 -29.69 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.874 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 15.8 t70 -57.39 -44.47 84.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.878 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -58.45 -38.39 77.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.024 -178.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.34 -38.04 86.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.546 . . . . 0.0 110.33 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.88 -9.07 57.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.095 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.75 21.63 45.0 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.189 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.94 -177.07 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.269 0.556 . . . . 0.0 111.649 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.52 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 50.5 t0 -73.54 129.49 38.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.134 174.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.713 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 5.3 mt-10 -56.19 -34.9 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.093 0.246 . . . . 0.0 110.728 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -59.85 -36.09 76.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.441 0.638 . . . . 0.0 109.865 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.52 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 39.2 mttp -81.82 -35.23 29.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.971 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.556 HG21 HD21 ' A' ' 12' ' ' LEU . 80.3 mt -63.63 -47.03 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.733 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.778 ' HZ2' HD21 ' A' ' 16' ' ' LEU . 27.9 mmtt -57.86 -44.77 86.8 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.1 m -62.66 -46.34 88.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.948 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.24 78.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.64 -42.06 99.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.193 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -22.83 55.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -73.86 -42.84 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.2 mt -53.98 -51.57 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 68.4 tttt -53.22 -39.77 64.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.822 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 48.0 t -65.27 -54.71 25.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.173 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' HB3' HG23 ' A' ' 96' ' ' THR . 72.7 mm-40 -64.28 -37.83 88.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.77 -24.93 66.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.114 -0.366 . . . . 0.0 111.075 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 57' ' ' SER . 15.1 t70 -70.59 -27.51 64.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.692 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.571 ' N ' ' HE2' ' A' ' 61' ' ' LYS . 8.8 mmpt? -69.5 -31.27 69.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.415 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 52.5 m -95.99 100.37 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.164 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -144.45 105.05 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 0.0 109.376 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.13 -153.63 24.48 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.902 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.47 -53.04 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.09 14.58 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.409 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.24 -50.0 69.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -170.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.99 -39.05 84.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 -173.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.95 -36.72 72.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.23 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.15 -36.92 84.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 110.22 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.805 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -68.35 -37.22 80.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.523 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 m -67.28 -33.61 75.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.632 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.45 ' O ' HG21 ' A' ' 78' ' ' VAL . 13.8 t80 -63.02 -27.38 69.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.677 -177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 95.0 mttt -54.13 -43.27 70.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.765 175.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.13 -30.19 64.79 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.992 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.444 HG21 ' HA ' ' A' ' 94' ' ' ALA . 45.7 m -68.61 -45.36 72.13 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.315 176.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 74' ' ' PHE . 59.5 t -64.27 -33.05 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.879 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.9 mt-30 -53.39 -44.89 69.04 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-O 121.348 0.594 . . . . 0.0 110.258 174.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.47 27.04 16.93 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.441 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.38 -47.61 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.71 0.291 . . . . 0.0 110.938 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.48 HD21 ' N ' ' A' ' 82' ' ' LEU . 2.9 mm? -80.19 10.25 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.84 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 t -87.9 -32.59 18.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.839 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.05 78.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.284 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.28 7.94 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -74.94 -19.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 109.829 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.25 -41.79 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.15 5.0 81.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.202 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -70.65 121.21 17.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.25 -145.02 8.82 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.28 2.92 16.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.49 0.662 . . . . 0.0 109.956 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.23 -38.74 55.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.409 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.48 -62.7 1.53 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.673 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.444 ' HA ' HG21 ' A' ' 77' ' ' THR . . . -82.79 99.8 9.9 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.08 -170.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG22 ' HA2' ' A' ' 101' ' ' GLY . 2.4 m -136.48 141.28 41.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 177.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.526 HG23 ' HB3' ' A' ' 58' ' ' GLU . 12.1 p -85.71 116.62 24.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.194 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.8 p -61.95 0.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.694 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.29 -15.74 61.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.047 0.451 . . . . 0.0 109.835 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.9 -57.77 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.402 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.43 ' CG ' ' H ' ' A' ' 101' ' ' GLY . 51.8 t30 -107.03 -164.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.636 -0.332 . . . . 0.0 110.418 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.43 ' H ' ' CG ' ' A' ' 100' ' ' ASN . . . 104.97 -47.68 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -174.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.87 171.256 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.63 126.44 30.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.98 -23.59 14.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.743 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.31 -121.56 1.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.121 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.25 -177.98 0.57 Allowed 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.663 2.909 . . . . 0.0 112.94 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -84.5 161.69 20.15 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.421 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.405 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 42.5 t -108.42 169.03 8.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.65 -33.04 69.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' HA ' HD23 ' A' ' 41' ' ' LEU . 9.7 pt-20 -61.65 -35.18 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 177.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 12.9 tp10 -72.34 -42.54 65.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.943 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.02 -34.25 74.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.677 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.672 HD22 HG22 ' A' ' 48' ' ' ILE . 60.4 tp -73.32 -43.53 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.474 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.8 ptm180 -63.74 -18.8 64.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.508 -175.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 30.3 mt-10 -64.75 -39.35 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' HE3' HD12 ' A' ' 12' ' ' LEU . 39.0 mtmt -85.93 -5.66 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.282 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 13' ' ' ARG . 86.0 mt -93.86 158.05 15.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.207 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.3 p -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.075 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.07 -37.47 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -172.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.54 -41.48 79.78 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.219 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 96.2 mt-30 -70.14 -33.92 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.037 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.1 mttt -60.66 -40.12 90.85 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.278 0.561 . . . . 0.0 110.219 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -67.16 -47.24 71.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.4 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 53.9 m80 -72.89 -18.91 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.051 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.48 -50.16 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.1 t70 -64.94 -38.7 91.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.451 ' CZ3' HG22 ' A' ' 78' ' ' VAL . 81.1 t90 -59.88 -44.14 94.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.773 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 27' ' ' LEU . 2.3 tt -66.61 -29.16 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 24.1 ttmm -55.19 -47.75 74.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.951 173.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.61 -31.13 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.58 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.64 -51.65 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.238 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.05 -29.59 31.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.37 -58.75 3.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.345 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -70.39 123.41 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.452 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.85 -30.59 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.193 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.49 -43.72 96.24 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.998 -0.547 . . . . 0.0 113.101 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 73.7 mm-40 -72.46 -35.66 68.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.054 0.454 . . . . 0.0 111.004 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 60.8 t80 -71.49 -33.82 69.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.677 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 12.6 t70 -55.04 -44.86 75.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.251 172.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 36.3 ttmt -54.01 -44.78 71.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.303 177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.432 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 91.9 t80 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.124 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 39.8 mt -71.38 -12.79 61.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.704 -175.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.81 31.05 7.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.652 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.432 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 10.3 m-85 -103.21 -178.92 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 111.895 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' OD1' ' HG3' ' A' ' 47' ' ' LYS . 21.3 t70 -58.56 129.73 43.48 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.924 176.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.38 -39.46 64.24 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -76.38 -31.92 58.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.552 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG3' ' OD1' ' A' ' 44' ' ' ASP . 56.1 mttm -74.97 -38.6 61.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.672 HG22 HD22 ' A' ' 12' ' ' LEU . 65.6 mt -59.36 -52.93 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.839 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.465 ' HZ2' HD22 ' A' ' 16' ' ' LEU . 32.1 mttp -55.8 -44.49 77.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 175.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -61.55 -44.97 96.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.096 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.23 -48.17 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.48 -40.1 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.601 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.71 -37.99 79.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.383 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.08 -44.11 91.86 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.111 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.2 mt -53.54 -48.98 57.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.579 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HB3' ' HZ1' ' A' ' 56' ' ' LYS . 8.0 ttpm? -58.33 -40.82 83.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 m -61.85 -52.89 62.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.279 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.501 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.0 mm-40 -65.7 -51.13 61.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.31 -24.19 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.743 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.6 -35.8 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.748 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.63 -27.11 67.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.558 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.482 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 23.2 m -91.85 97.75 11.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -145.4 108.84 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.851 0.834 . . . . 0.0 110.016 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.16 -153.43 23.95 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.39 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.37 -33.5 75.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.6 p-10 -89.95 -6.93 55.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.633 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.742 -169.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -59.15 -32.93 70.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.26 0.552 . . . . 0.0 111.079 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -86.59 -40.78 14.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.826 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 13.7 mm100 -63.72 -42.62 97.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.67 -31.39 72.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.954 0.407 . . . . 0.0 110.687 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 74.7 m -77.97 -36.07 49.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.662 177.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -74.75 -27.0 60.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 0.0 111.092 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -64.6 -27.0 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.943 0.401 . . . . 0.0 110.08 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.58 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 90.5 mttt -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 24.2 mt-30 -73.28 -25.87 60.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.872 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.2 m -69.1 -45.52 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.846 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.451 HG22 ' CZ3' ' A' ' 26' ' ' TRP . 73.7 t -60.99 -25.28 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.122 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 18.5 mm-40 -56.36 -42.56 77.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.394 175.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.9 10.24 73.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.333 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HB1' HD22 ' A' ' 82' ' ' LEU . . . -100.73 -62.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.512 HD22 ' HB1' ' A' ' 81' ' ' ALA . 2.6 mm? -76.45 -0.63 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 112.12 -174.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -85.07 -16.48 40.5 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.977 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.69 10.65 25.63 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.31 141.21 10.24 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 tt -76.01 -21.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.302 0.572 . . . . 0.0 110.199 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.9 -29.07 70.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.478 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.79 10.93 59.12 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.427 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -77.01 119.16 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.07 -155.83 18.98 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.5 p -74.94 9.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.974 0.416 . . . . 0.0 111.29 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -95.43 -10.91 28.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.472 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 31.4 p-10 -151.28 -31.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.657 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.54 99.64 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 0.0 110.656 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 149.81 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.965 0.412 . . . . 0.0 111.793 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.501 HG23 ' HB3' ' A' ' 58' ' ' GLU . 13.3 p -94.51 113.99 25.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.462 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 p -83.32 43.11 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.487 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.82 5.74 45.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.85 95.55 0.31 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.175 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.56 -25.4 16.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.807 0.337 . . . . 0.0 110.671 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.49 -74.94 2.17 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.507 -176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.192 177.203 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.251 0.072 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' HD13 ' A' ' 41' ' ' LEU . 65.1 mttm -52.76 -37.56 59.68 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.637 0.256 . . . . 0.0 111.114 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 14.8 pt-20 -60.5 -30.19 69.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.9 -33.17 19.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.336 0.589 . . . . 0.0 111.065 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -77.65 -30.45 52.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.608 HD21 HG21 ' A' ' 48' ' ' ILE . 65.8 tp -82.9 -25.94 31.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 27.7 ttt180 -54.0 -48.56 70.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.08 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -57.99 -40.4 80.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.542 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.517 ' HE3' HD12 ' A' ' 12' ' ' LEU . 38.0 mtmt -80.18 -19.29 47.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.911 0.386 . . . . 0.0 111.661 -175.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 78.0 mt -84.63 166.4 17.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.331 0.586 . . . . 0.0 110.755 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -79.66 166.73 21.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.705 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.665 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.12 -56.04 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.606 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 90.7 mt-30 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.962 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.05 -43.02 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.124 0.487 . . . . 0.0 110.551 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 m -64.94 -39.91 94.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.899 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -78.06 -18.73 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.427 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 16' ' ' LEU . 16.4 mt -63.12 -48.75 77.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 171.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 32.2 t70 -63.12 -43.34 98.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.172 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -57.52 -47.98 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.77 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 31' ' ' LEU . 58.9 tp -64.98 -39.82 94.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.143 0.496 . . . . 0.0 110.233 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -61.22 -46.95 88.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.995 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 61.9 mt-10 -53.9 -45.1 71.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.957 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -60.52 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 27' ' ' LEU . 10.1 mp -64.23 -37.29 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.913 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.88 4.0 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.749 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.1 137.7 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.219 0.533 . . . . 0.0 111.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.03 -36.4 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.51 90.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.78 -43.35 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.948 0.404 . . . . 0.0 110.449 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.4 t80 -67.37 -30.91 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.422 ' HA ' HD12 ' A' ' 41' ' ' LEU . 22.1 t70 -58.71 -42.7 89.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.411 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.02 -40.84 74.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.036 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 82.2 t80 -66.72 -39.1 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 62.2 mt -67.05 -21.43 65.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.22 10.01 74.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.008 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 26.9 m-85 -90.57 175.31 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.012 0.434 . . . . 0.0 111.808 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.31 135.22 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.508 175.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.34 -35.85 72.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.933 0.397 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 m -64.2 -25.04 67.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.524 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.12 -41.65 10.36 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.421 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.608 HG21 HD21 ' A' ' 12' ' ' LEU . 77.8 mt -57.55 -51.92 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.635 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.54 -41.41 94.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 m -68.45 -38.95 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.64 -48.93 79.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.369 . . . . 0.0 110.401 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.49 -40.86 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.61 -37.78 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.7 -46.92 80.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.502 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.5 mt -54.99 -44.93 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -58.41 -41.1 84.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.0 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 m -61.33 -51.63 68.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.59 ' HB3' HG23 ' A' ' 96' ' ' THR . 69.5 mm-40 -63.85 -40.67 97.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.358 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.86 -33.09 75.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.728 0.299 . . . . 0.0 111.033 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.82 -24.35 61.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.199 0.523 . . . . 0.0 110.283 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 54.7 mtpt -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.194 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 67' ' ' ALA . 5.2 t -129.41 94.93 3.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -141.72 101.0 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -172.52 -142.79 3.9 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -174.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -79.25 -47.93 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.902 0.351 . . . . 0.0 111.373 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -100.98 15.91 27.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.713 0.292 . . . . 0.0 111.363 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.666 ' HA ' ' SG ' ' A' ' 62' ' ' CYS . . . -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.52 -41.0 65.89 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.329 0.585 . . . . 0.0 111.013 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.85 -48.03 48.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.177 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.23 -33.85 76.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.287 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 67.0 mttm -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.056 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 79.0 m -78.19 -41.35 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.795 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -65.59 -34.2 77.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.382 . . . . 0.0 110.962 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 78' ' ' VAL . 11.2 t80 -60.36 -30.07 69.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.61 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' THR . 90.1 mttt -55.25 -43.58 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -68.63 -37.53 79.79 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.3 m -65.25 -44.17 88.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.301 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 74' ' ' PHE . 96.6 t -66.29 -36.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.421 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.46 -45.55 80.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.902 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.66 4.82 80.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.2 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.28 -36.61 8.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.982 0.42 . . . . 0.0 110.322 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.0 mt -91.56 5.45 49.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.905 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.1 p -69.81 -27.96 65.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.284 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.03 6.93 25.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.85 166.08 10.85 Favored Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.165 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.1 tt -103.98 -1.52 9.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.728 0.775 . . . . 0.0 109.473 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -72.3 -42.98 64.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.414 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.3 28.3 16.51 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.03 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -87.83 119.89 28.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.83 -154.03 14.39 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.157 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 m -71.99 5.32 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.838 -176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -100.94 -5.98 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -147.52 -33.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.668 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.9 107.57 16.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -143.43 149.2 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 58' ' ' GLU . 17.1 p -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.751 172.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 p -73.22 26.69 0.06 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 96' ' ' THR . 7.1 t . . . . . 0 N--CA 1.452 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.0 -46.36 88.36 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 109.993 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.602 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -58.36 -40.18 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.902 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.48 -26.73 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.796 0.331 . . . . 0.0 111.41 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 79.5 mt -87.75 -50.61 6.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.261 0.553 . . . . 0.0 110.451 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.9 tp -73.76 -24.05 59.82 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.593 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.1 ptm180 -59.43 -38.61 81.1 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.255 0.55 . . . . 0.0 109.776 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 13.6 mm-40 -72.36 -20.85 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.772 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HB2' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.34 2.69 39.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 177.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 51.1 mt -107.47 -175.78 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 77.6 p -80.43 167.08 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -65.54 -35.78 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.419 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -77.45 -35.02 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.438 HE22 ' HB3' ' A' ' 49' ' ' LYS . 39.5 mt-30 -57.03 -28.37 62.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.945 0.403 . . . . 0.0 110.71 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.1 mttt -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 m -73.92 -41.4 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 0.0 110.234 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.5 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.9 m80 -76.19 -18.73 58.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 9' ' ' GLU . 2.7 tm? -61.88 -55.25 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.1 -39.49 86.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 89.6 t90 -59.09 -47.25 85.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 30' ' ' ALA . 45.1 tp -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.3 ttmm -60.97 -42.88 99.17 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -69.27 -37.6 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.57 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.9 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.463 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.26 -33.52 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.33 -60.2 3.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.27 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -73.04 117.22 14.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.18 -28.31 69.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.37 93.17 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.297 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.38 -26.45 23.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.39 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' O ' HD23 ' A' ' 41' ' ' LEU . 35.2 t80 -66.05 -38.59 88.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -46.75 -45.22 19.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.973 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -58.18 -28.29 64.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.892 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 86.2 t80 -75.1 -44.91 44.65 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.9 mm? -63.15 -23.85 67.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.653 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.99 27.92 9.43 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.014 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 18.7 m-85 -100.0 -174.29 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.239 0.52 . . . . 0.0 110.96 174.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 48' ' ' ILE . 6.9 t70 -72.26 135.7 46.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 1.9 mt-10 -61.08 -33.06 72.74 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.018 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -69.24 -29.14 67.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.0 109.868 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.34 -30.94 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 44' ' ' ASP . 92.1 mt -62.62 -54.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HB3' HE22 ' A' ' 20' ' ' GLN . 17.8 mttp -59.9 -40.19 87.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.77 -0.195 . . . . 0.0 111.171 177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.7 m -61.69 -44.16 97.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.581 0.229 . . . . 0.0 111.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.23 -50.37 74.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.44 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.82 -40.74 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.221 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.08 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.765 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.78 -46.47 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.187 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.0 mt -54.33 -47.17 69.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.78 174.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -56.1 -44.78 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.001 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.8 m -61.11 -47.79 84.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -73.0 -47.75 42.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 111.201 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' HD2' ' A' ' 74' ' ' PHE . 14.0 tp -65.95 -20.38 66.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.574 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.86 -21.96 50.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -66.48 -34.89 78.94 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.471 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 24.4 m -80.92 110.05 16.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 -175.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -138.07 100.49 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.05 -167.62 38.47 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.539 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -76.33 -44.07 38.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.163 0.506 . . . . 0.0 110.235 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.77 -18.74 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.492 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -60.01 -25.96 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.724 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.88 -38.39 85.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.399 0.618 . . . . 0.0 110.078 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.44 -30.33 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.46 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.71 -45.73 92.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.981 0.42 . . . . 0.0 110.167 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 97.4 mttt -67.54 -20.32 65.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.975 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.451 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 90.3 m -86.39 -33.34 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.364 176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.9 m -72.68 -35.06 67.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' HD2' HD13 ' A' ' 59' ' ' LEU . 17.9 t80 -61.18 -28.42 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.207 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 91.7 mttt -58.35 -38.04 76.39 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.643 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -72.47 -31.98 65.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.697 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.2 m -64.24 -44.4 91.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.97 -29.45 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.255 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.3 mt-30 -53.39 -51.6 62.0 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.51 -24.41 60.79 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.015 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.03 -49.78 54.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.595 0.236 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.53 -0.93 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 111.376 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -89.69 -14.89 33.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.835 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.51 10.96 56.52 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.552 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.32 144.3 10.98 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.567 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -84.61 -9.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.443 0.639 . . . . 0.0 110.322 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.66 -40.75 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.716 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.73 15.42 62.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.288 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -75.66 117.8 17.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.457 . . . . 0.0 109.803 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.53 -162.2 24.29 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.1 m -71.38 -6.07 37.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 111.371 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -75.09 -30.33 60.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.44 0.638 . . . . 0.0 109.345 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.51 -55.66 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.161 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.13 116.32 28.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.477 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.46 149.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.974 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.471 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 4.8 p -92.25 109.44 20.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.22 0.533 . . . . 0.0 111.18 174.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 p -82.05 60.96 5.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.756 177.874 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -43.28 -50.68 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.335 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.73 -26.48 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.742 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 9.7 mp0 -69.24 -45.73 69.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.022 0.439 . . . . 0.0 110.16 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.2 -36.55 84.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.401 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.5 tp -76.77 -36.82 56.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.835 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HA ' HD12 ' A' ' 16' ' ' LEU . 6.1 ptp180 -68.69 -18.68 64.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.082 -174.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.49 -28.03 68.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -86.95 1.59 52.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.369 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.603 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 76.8 mt -116.26 158.2 23.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.475 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.2 m -77.2 174.22 10.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.283 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 43.2 mt-10 -58.99 -36.81 75.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 110.228 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -66.27 -52.12 50.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.836 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.603 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 47.3 mt-30 -67.03 -27.19 67.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.324 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 18' ' ' GLU . 61.9 mttm -60.67 -38.67 85.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 110.071 174.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -80.64 -39.89 26.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.978 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -66.59 -26.62 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.88 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.94 -44.84 91.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.205 0.526 . . . . 0.0 109.827 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.83 -39.34 83.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.941 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.51 -41.39 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.739 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -58.54 -49.09 78.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.92 -33.59 76.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.355 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.44 60.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.547 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 93.2 mt -68.08 -49.02 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.712 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.36 36.27 91.4 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.327 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 45.8 t-20 -150.27 130.25 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -56.93 -54.67 43.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.88 94.41 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.599 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 33' ' ' ASN . 53.4 mt-10 -70.88 -38.33 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.033 0.417 . . . . 0.0 111.363 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 38.9 t80 -72.1 -37.2 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 109.805 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 41' ' ' LEU . 28.1 t70 -57.55 -42.92 83.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.653 176.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 18.4 tptp -60.27 -33.08 71.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.437 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.733 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 74.3 t80 -71.68 -39.02 70.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 110.17 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 53.0 mt -64.99 -17.17 64.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.945 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.37 24.51 22.34 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.567 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.733 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 4.0 m-85 -89.28 -176.94 5.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.541 ' O ' HG13 ' A' ' 48' ' ' ILE . 8.8 t0 -67.94 130.14 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.216 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.54 -35.56 63.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.281 0.363 . . . . 0.0 111.446 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.415 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 2.4 m -67.82 -40.38 83.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.89 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 62.5 mttp -74.25 -36.5 63.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 44' ' ' ASP . 74.2 mt -56.64 -57.44 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.277 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 m -60.97 -45.69 93.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.68 75.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.21 -41.16 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.642 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 39.0 t70 -70.93 -34.35 71.42 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.651 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.42 -49.8 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.72 -49.74 55.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.11 173.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 24.5 tttm -53.94 -42.92 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.514 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 51.7 m -68.57 -51.5 42.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.347 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.1 mm-40 -61.65 -51.64 67.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 111.392 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 74' ' ' PHE . 38.9 tp -59.45 -29.98 68.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.134 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 57' ' ' SER . 99.6 mttt -59.56 -36.78 76.84 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.106 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 16.3 m -85.7 101.17 12.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.371 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -146.18 111.27 5.33 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.714 0.769 . . . . 0.0 109.288 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . 170.21 -163.28 36.59 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.857 -176.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -74.79 -18.34 60.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.262 0.531 . . . . 0.0 111.252 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.71 11.15 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.977 0.417 . . . . 0.0 110.817 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -64.89 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.75 -44.86 66.75 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.302 0.572 . . . . 0.0 111.067 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -68.53 -53.56 22.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.352 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.87 -37.26 83.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.441 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.59 -38.74 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.928 0.394 . . . . 0.0 110.449 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.557 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 95.9 m -72.66 -38.57 67.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -65.78 -31.66 72.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.23 0.538 . . . . 0.0 110.381 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -66.33 -34.0 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.457 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 73.0 mttt -56.41 -45.59 80.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 173.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -66.62 -35.65 80.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.281 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.9 m -62.72 -52.34 63.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.822 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 74' ' ' PHE . 39.8 t -63.59 -35.17 71.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.6 tm0? -51.86 -54.06 33.47 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.846 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.89 -27.75 68.23 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.698 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -50.35 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.91 -4.6 47.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.3 m -82.36 -15.8 51.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.935 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.75 4.23 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.404 174.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.94 137.01 2.93 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 89' ' ' PHE . 16.6 tt -71.74 -15.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.278 0.561 . . . . 0.0 110.848 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.14 -35.51 77.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.734 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.78 14.9 34.66 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.247 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 86' ' ' ILE . 50.9 t80 -72.71 125.28 27.13 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.35 -157.14 28.81 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -69.93 3.61 2.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.362 0.581 . . . . 0.0 111.201 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.71 -38.56 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.037 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -126.74 -29.14 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.86 113.04 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.02 146.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.046 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 58' ' ' GLU . 2.1 p -82.53 103.09 11.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.278 0.561 . . . . 0.0 111.097 174.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 p -73.27 73.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.973 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.507 177.79 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.743 0.306 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' A' ' 41' ' ' LEU . 60.4 mtpt -57.43 -38.99 75.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.68 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' HB2' HD11 ' A' ' 24' ' ' LEU . 13.3 pt-20 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 0.0 110.504 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 20.5 tp10 -79.35 -36.36 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.089 -177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.26 -46.42 67.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.998 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 48' ' ' ILE . 54.5 tp -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.979 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 9.3 ptm180 -63.83 -23.1 67.22 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.437 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.41 -26.92 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.78 -15.35 39.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.552 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 68.2 mt -92.59 169.52 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.327 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 32.0 t -82.25 175.49 10.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.47 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.14 -32.81 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.889 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.08 -43.56 52.44 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.495 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -57.04 -34.73 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.061 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.636 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.3 mttt -62.29 -33.79 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.693 0.282 . . . . 0.0 111.261 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -66.68 -43.1 85.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.51 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 92.7 m-70 -77.95 -22.15 49.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.766 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.3 tm? -59.36 -53.24 60.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 t70 -67.11 -39.95 86.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.51 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 84.4 t90 -54.15 -48.17 71.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.526 HD23 ' HG ' ' A' ' 31' ' ' LEU . 2.1 tt -63.1 -36.33 83.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.299 -176.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.47 -52.57 63.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.596 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 4.6 mm-40 -64.51 -28.85 69.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.915 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.1 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.999 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.526 ' HG ' HD23 ' A' ' 27' ' ' LEU . 67.2 mt -70.03 -32.08 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.614 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.72 40.46 96.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.324 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -156.62 179.46 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.024 0.44 . . . . 0.0 110.896 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -105.04 -43.38 5.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.752 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.46 -56.05 19.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.569 -0.741 . . . . 0.0 114.181 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -41.14 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.738 0.769 . . . . 0.0 111.578 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 62.8 t80 -73.14 -27.95 61.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.403 . . . . 0.0 110.013 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.576 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 11.2 t70 -55.56 -50.07 71.01 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.268 0.556 . . . . 0.0 110.424 171.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.18 -41.06 87.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.639 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.27 -38.99 85.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.416 . . . . 0.0 110.511 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . 78.3 mt -74.17 -13.84 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.052 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.36 48.74 0.91 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.377 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -123.24 -170.33 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.086 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.87 134.63 40.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.863 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.96 -35.76 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -69.79 -28.41 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -86.73 -34.63 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.633 HG21 HD21 ' A' ' 12' ' ' LEU . 95.6 mt -66.03 -51.3 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.599 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.56 -35.83 82.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -64.65 -44.53 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.44 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.62 90.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.79 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.8 -48.74 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.644 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.3 -31.73 72.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 110.593 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -68.0 -50.74 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.233 175.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 74' ' ' PHE . 57.6 mt -53.44 -47.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.521 0.677 . . . . 0.0 109.95 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 48.7 tttt -53.17 -48.95 67.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.393 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 55.1 m -59.07 -47.05 86.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.556 ' HB3' HG23 ' A' ' 96' ' ' THR . 58.5 mm-40 -63.64 -47.43 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.53 -32.57 70.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.97 -18.69 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.507 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' SER . 97.3 mttt -71.63 -40.82 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 0.0 110.106 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.1 m -92.61 75.07 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.757 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -122.21 86.17 2.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.858 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.595 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -149.99 -149.19 4.95 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.666 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.57 -55.4 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.759 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.86 41.37 1.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.716 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -58.91 -45.0 91.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.33 -42.64 91.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.689 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.75 -44.53 93.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.756 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -70.56 -43.61 69.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.682 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.716 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.0 mttm -60.83 -37.97 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.546 ' HA ' ' CD ' ' A' ' 75' ' ' LYS . 51.7 m -71.01 -35.8 72.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.509 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m -67.1 -31.62 72.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.45 0.643 . . . . 0.0 109.633 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.415 ' HE1' HG23 ' A' ' 55' ' ' ILE . 7.6 t80 -69.58 -28.92 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.416 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' CD ' ' HA ' ' A' ' 72' ' ' THR . 85.8 mttt -58.89 -43.65 91.03 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.265 0.555 . . . . 0.0 109.892 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -24.69 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.245 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 m -70.88 -50.24 37.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.519 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.33 -33.2 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.8 -52.98 45.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.118 0.485 . . . . 0.0 111.055 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.16 -22.51 65.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.063 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.71 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 0.0 111.273 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.44 -5.01 53.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.196 0.522 . . . . 0.0 111.395 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -74.2 -24.33 59.34 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.79 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.24 5.22 52.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.044 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.28 147.73 13.08 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.725 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -81.7 -6.65 10.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.595 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.42 -36.44 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.854 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.83 15.32 62.84 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.657 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.16 144.4 33.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.294 0.569 . . . . 0.0 109.761 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.96 -152.02 24.17 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.604 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p -69.11 1.61 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.001 0.429 . . . . 0.0 112.093 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.94 -45.57 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.391 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -122.25 -12.71 8.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.84 102.37 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.007 0.432 . . . . 0.0 111.011 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.43 148.22 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.978 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.648 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 4.0 p -93.58 111.75 23.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.142 0.496 . . . . 0.0 110.779 172.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -80.41 50.66 1.31 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.628 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.648 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 28.4 m . . . . . 0 C--O 1.233 0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.789 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.214 0.054 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.35 -39.75 61.1 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.365 0.416 . . . . 0.0 111.085 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 11.4 pt-20 -57.36 -44.12 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 22.9 mm-40 -68.02 -51.2 49.72 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.7 -33.3 72.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.641 HD21 HG21 ' A' ' 48' ' ' ILE . 55.1 tp -83.08 -39.77 20.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.31 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 39.2 ptt180 -72.76 -7.05 48.73 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.831 -173.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 44.5 mt-10 -62.39 -37.53 86.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.266 0.555 . . . . 0.0 109.578 168.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -89.3 -14.47 35.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.786 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.1 156.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 9.2 m -78.56 168.94 19.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.976 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.79 -36.11 81.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.302 0.572 . . . . 0.0 110.201 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.533 ' OD1' ' HB2' ' A' ' 17' ' ' SER . 5.6 p-10 -66.01 -37.86 86.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.07 -37.73 72.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 98.9 mttt -60.2 -35.29 75.07 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -62.91 -45.93 90.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -82.73 -17.43 44.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.558 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.49 -47.5 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 28.2 t70 -62.53 -39.92 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.216 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -43.16 87.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.1 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.36 -33.24 75.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 23.4 ttmm -58.48 -45.22 89.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 109.746 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.28 -38.25 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.523 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -61.36 -47.57 85.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.56 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 37' ' ' PHE . 86.6 mt -78.09 -27.63 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.111 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.46 -64.06 3.59 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.112 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.69 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 27.7 t30 -72.74 115.04 11.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.5 -30.4 67.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.269 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.22 -45.98 94.07 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.644 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.69 ' HG2' ' HB3' ' A' ' 33' ' ' ASN . 8.6 pt-20 -82.0 -17.37 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.308 -0.524 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.55 ' HA ' HD12 ' A' ' 31' ' ' LEU . 35.7 t80 -69.95 -40.82 75.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 171.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -50.38 -41.7 52.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.072 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -48.68 -43.95 37.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.208 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' HG23 ' A' ' 48' ' ' ILE . 91.4 t80 -55.66 -44.68 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' HD22 ' A' ' 41' ' ' LEU . 2.5 mm? -65.79 -23.88 66.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.664 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.52 40.41 3.07 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.942 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -125.79 -174.97 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.723 0.297 . . . . 0.0 110.841 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 48' ' ' ILE . 10.6 t70 -74.9 139.82 43.36 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.065 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.74 -36.74 65.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.364 0.415 . . . . 0.0 110.978 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 m -63.06 -39.31 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD3' HG23 ' A' ' 86' ' ' ILE . 61.3 mttp -78.32 -40.11 37.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.168 0.509 . . . . 0.0 109.999 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.641 HG21 HD21 ' A' ' 12' ' ' LEU . 79.4 mt -62.36 -52.86 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.923 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.14 -34.02 77.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.95 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -67.35 -41.47 85.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.606 0.241 . . . . 0.0 110.446 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.13 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.78 -44.75 95.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.245 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.23 -30.76 69.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.001 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -65.51 -48.36 72.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.465 HG23 ' HE1' ' A' ' 74' ' ' PHE . 89.3 mt -52.86 -44.95 49.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.316 0.579 . . . . 0.0 109.852 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.69 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.218 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -63.44 -34.69 78.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.301 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.571 ' HB3' HG23 ' A' ' 96' ' ' THR . 76.0 mm-40 -68.29 -52.9 28.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.964 0.412 . . . . 0.0 110.402 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -61.77 -18.04 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 111.207 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.91 -22.8 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.78 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -80.14 -29.78 38.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.419 0.628 . . . . 0.0 110.308 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 76.6 m -86.84 94.1 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.56 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -133.61 96.55 3.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.76 -138.51 7.18 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 119.583 -1.294 . . . . 0.0 114.403 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.571 ' ND2' ' H ' ' A' ' 66' ' ' ASP . 2.9 p-10 -61.56 -84.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.571 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 5.1 m-20 -82.46 14.26 3.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.483 . . . . 0.0 111.031 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -66.01 -49.06 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -176.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 10.7 m-20 -67.32 -23.77 65.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.771 -175.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -73.92 -42.24 60.9 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 11.3 mm100 -66.91 -34.1 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.325 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 88.4 mttt -57.36 -38.68 74.56 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.379 0.609 . . . . 0.0 109.827 174.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.0 m -70.49 -42.51 71.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -68.26 -29.26 68.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.222 0.534 . . . . 0.0 110.956 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.465 ' HE1' HG23 ' A' ' 55' ' ' ILE . 21.9 t80 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.045 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 96.8 mttt -57.44 -36.82 71.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.196 0.522 . . . . 0.0 110.727 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -78.53 -30.37 46.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 22.6 m -64.89 -43.45 92.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.194 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.1 t -60.61 -39.93 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.321 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -58.95 -36.55 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.412 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.66 -15.26 68.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.605 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.12 -22.45 19.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.944 0.402 . . . . 0.0 111.197 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.62 25.64 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.315 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 m -55.76 -43.6 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.398 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.59 37.32 0.58 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.891 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.53 130.57 1.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.973 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.427 HG23 ' HD3' ' A' ' 47' ' ' LYS . 12.4 tt -95.41 -18.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 110.907 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.54 -14.06 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.344 0.592 . . . . 0.0 110.347 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.94 14.54 44.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.903 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -81.87 109.72 16.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -162.45 16.43 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -75.1 2.17 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 111.811 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.7 -38.31 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -109.13 -61.74 1.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.65 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 77' ' ' THR . . . -89.74 107.08 18.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.449 -171.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.79 139.97 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.569 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.571 HG23 ' HB3' ' A' ' 58' ' ' GLU . 2.2 p -77.16 105.71 8.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.9 174.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 p -72.09 49.3 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.878 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 70' ' ' GLN . 71.2 m . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.594 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 21.0 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -55.3 -46.83 76.22 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.594 ' OE1' ' HB2' ' A' ' 7' ' ' SER . 0.0 OUTLIER -68.49 -38.19 80.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.338 . . . . 0.0 110.11 -179.005 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.616 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.0 tp10 -63.57 -38.62 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.362 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 7' ' ' SER . 57.4 mt -69.85 -43.51 71.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 110.563 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.86 HD21 HG21 ' A' ' 48' ' ' ILE . 60.4 tp -72.08 -31.76 66.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.709 -175.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.616 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 5.5 ptm180 -68.95 -18.42 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.015 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 29.5 mt-10 -70.47 -24.7 62.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -87.35 -19.83 27.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 59.4 mt -91.42 175.05 7.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.137 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.572 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 34.2 m -73.17 167.87 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.73 -26.77 57.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.356 0.598 . . . . 0.0 109.58 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.28 -42.51 65.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.629 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.4 mt-30 -60.64 -29.7 69.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.048 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 17' ' ' SER . 96.6 mttt -57.17 -43.17 82.36 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.306 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -71.4 -33.53 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -75.8 -20.68 58.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.053 0.454 . . . . 0.0 110.433 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.31 -43.22 74.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.04 -47.17 86.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.041 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.98 -43.55 77.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.812 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.53 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -61.32 -43.78 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.17 -32.53 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.096 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.79 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 37' ' ' PHE . 58.8 mt -73.73 -22.08 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.88 -62.09 3.98 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.346 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -85.95 124.72 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.44 -20.91 65.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.03 -20.74 76.55 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.248 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -97.06 -28.25 14.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.753 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' HA ' HD12 ' A' ' 31' ' ' LEU . 60.2 t80 -69.12 -29.5 67.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.648 174.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.1 -43.5 66.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.908 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -54.81 -42.21 71.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.391 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.71 -33.24 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.368 0.604 . . . . 0.0 110.389 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 51.9 mt -80.12 10.67 4.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.709 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.68 25.18 5.66 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.361 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -106.74 178.4 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 111.829 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.12 129.23 41.14 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.38 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.8 mt-10 -61.2 -23.61 65.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.26 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 t -71.5 -38.47 71.16 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -74.57 -41.66 60.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 109.854 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.86 HG21 HD21 ' A' ' 12' ' ' LEU . 65.7 mt -55.15 -58.18 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.085 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.6 mttp -59.15 -40.43 85.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -62.99 -38.85 92.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.987 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.49 -46.22 90.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.264 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.64 -39.48 80.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.87 -42.67 90.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.475 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.88 -48.48 74.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 51' ' ' ALA . 75.7 mt -53.48 -46.68 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -61.94 -45.45 93.62 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -50.78 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 96' ' ' THR . 60.2 mm-40 -60.82 -39.95 90.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.346 0.593 . . . . 0.0 111.254 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -76.12 -27.34 57.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.584 -178.33 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.68 -26.66 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -76.69 -18.62 58.43 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 96.9 m -90.78 87.07 6.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.957 173.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -138.68 16.15 2.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.271 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.29 -139.93 4.43 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.801 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -71.41 -67.71 0.5 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 111.078 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -93.35 35.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.353 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -37.6 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.27 -39.89 73.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 110.768 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -72.03 -39.19 69.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.26 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.776 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.63 -35.64 78.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -73.43 -41.58 63.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.938 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.5 m -70.0 -31.26 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' A' ' 59' ' ' LEU . 18.4 t80 -63.69 -23.82 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -58.86 -37.63 76.95 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -73.76 -33.74 64.42 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.348 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.9 m -65.67 -46.95 77.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.83 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.61 -33.13 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.781 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 83' ' ' SER . 2.6 mm-40 -56.21 -47.18 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.762 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.9 -7.63 87.43 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.026 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.95 -50.55 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 0.0 110.993 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.9 16.13 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.077 0.465 . . . . 0.0 111.331 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.48 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 10.2 t -87.78 41.29 0.98 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.365 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.03 -28.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.649 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.73 148.03 9.47 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.932 -1.128 . . . . 0.0 112.746 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -100.08 -14.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.546 0.689 . . . . 0.0 109.962 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.88 -24.88 59.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.936 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.22 7.69 58.62 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.189 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -77.3 121.84 24.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.042 0.449 . . . . 0.0 110.504 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.74 -159.08 25.54 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 m -70.88 1.9 4.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -81.91 -37.25 27.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -126.78 -20.08 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.189 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -127.86 116.44 20.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.564 0.221 . . . . 0.0 111.016 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.82 154.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.974 0.416 . . . . 0.0 111.313 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 58' ' ' GLU . 8.7 p -92.92 127.29 38.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.699 166.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 p -72.17 21.11 0.06 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.472 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.401 ' H ' ' C ' ' A' ' 96' ' ' THR . 45.4 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.57 0.7 . . . . 0.0 109.958 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.455 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 8.2 m . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.417 0.151 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.41 -33.93 71.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.842 0.353 . . . . 0.0 110.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 12.4 pt-20 -62.49 -37.14 84.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.328 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.6 tm-20 -67.57 -42.96 81.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.56 -35.2 70.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.714 HD21 HG21 ' A' ' 48' ' ' ILE . 56.3 tp -74.28 -44.29 53.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.85 -22.13 65.26 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.422 -174.516 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 11.8 mm-40 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 0.0 110.884 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.18 -0.23 39.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.015 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 39.0 mt -99.15 172.03 7.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.621 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 64.8 p -90.86 169.76 10.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.929 175.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.88 -34.4 75.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.207 0.527 . . . . 0.0 109.777 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.56 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.182 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.9 mt-30 -59.75 -38.57 82.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.877 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 86.2 mttt -62.33 -36.37 81.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.778 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.2 m -68.59 -44.55 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.922 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 65.3 m80 -73.52 -17.26 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.571 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.1 -44.78 91.26 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -64.56 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.396 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -63.43 -47.77 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.259 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 30' ' ' ALA . 38.1 tp -65.19 -24.26 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.829 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 35.6 ttmt -60.17 -43.45 95.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.01 -33.57 57.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.238 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -62.57 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.62 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 36' ' ' GLU . 87.8 mt -83.79 -18.65 36.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.05 -62.25 4.02 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.492 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -92.92 144.95 24.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.879 0.371 . . . . 0.0 110.536 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.21 -36.17 77.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.166 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.62 96.76 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.65 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 31' ' ' LEU . 25.8 mm-40 -76.54 -28.34 56.27 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.501 -0.411 . . . . 0.0 111.448 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.7 t80 -73.52 -35.69 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.32 -38.16 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.164 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 3.2 tppp? -49.8 -51.96 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.665 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.509 ' CE2' HG23 ' A' ' 48' ' ' ILE . 90.4 t80 -69.53 -35.85 75.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.021 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 77.6 mt -74.57 2.23 10.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.818 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.93 29.07 8.33 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.14 -177.04 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 112.014 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 48' ' ' ILE . 7.9 t70 -71.37 136.95 48.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.296 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.45 -38.0 68.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.291 0.369 . . . . 0.0 111.086 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -61.85 -34.62 76.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.12 0.486 . . . . 0.0 110.034 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.477 ' HD3' HG23 ' A' ' 86' ' ' ILE . 99.4 mttt -86.81 -37.68 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.714 HG21 HD21 ' A' ' 12' ' ' LEU . 76.3 mt -61.89 -51.84 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HE2' HD23 ' A' ' 16' ' ' LEU . 89.2 mttt -65.14 -29.97 70.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -71.76 -42.22 67.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.33 -47.41 82.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.72 -38.73 91.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.4 -37.73 87.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.679 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.491 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.473 HG22 HD22 ' A' ' 59' ' ' LEU . 66.9 mt -53.68 -39.5 38.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.513 176.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 30.4 ttpt -63.01 -36.11 82.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.177 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -61.55 -55.89 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.496 ' HB3' HG23 ' A' ' 96' ' ' THR . 21.2 mm-40 -62.92 -32.69 74.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.238 -176.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -76.27 -26.84 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.331 177.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -76.64 -38.83 53.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.418 0.628 . . . . 0.0 109.89 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.85 -17.75 61.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.531 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -121.22 100.1 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.37 108.64 7.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.979 0.895 . . . . 0.0 109.933 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.49 -166.07 39.29 Favored Glycine 0 C--N 1.315 -0.611 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.591 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -78.73 -25.29 44.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.35 0.575 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.38 -17.45 42.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.207 0.527 . . . . 0.0 110.054 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -60.26 -32.56 71.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.882 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.81 -42.1 75.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.437 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.22 -46.78 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.416 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.15 -37.13 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.76 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.474 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.1 mttm -65.54 -34.56 78.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.551 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 77.7 m -73.46 -37.42 65.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.659 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.0 m -69.85 -36.85 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.211 0.529 . . . . 0.0 110.767 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.9 t80 -62.74 -32.4 73.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 87.7 mttt -51.84 -50.45 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.488 0.661 . . . . 0.0 110.704 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.78 -29.12 66.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.638 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.7 m -66.75 -46.38 75.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.572 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 74' ' ' PHE . 93.6 t -61.6 -35.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.1 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.46 -48.86 65.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.64 -20.7 68.06 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.297 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.83 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.885 0.374 . . . . 0.0 111.078 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.3 mt -106.01 30.56 5.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.002 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 p -63.34 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.905 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.83 47.69 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.112 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.46 149.36 5.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.624 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.477 HG23 ' HD3' ' A' ' 47' ' ' LYS . 18.2 tt -112.86 -28.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.026 0.413 . . . . 0.0 111.144 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.93 -12.87 60.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 110.719 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.55 -5.56 74.88 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 172.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -83.47 129.32 34.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 110.077 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.76 -155.26 26.55 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -67.64 -1.41 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 111.228 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -79.83 -32.67 40.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -138.12 -10.93 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.57 103.72 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.805 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 m -138.09 147.64 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.628 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 58' ' ' GLU . 20.1 p -96.64 118.13 32.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.082 169.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.9 p -78.86 31.05 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.92 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -177.454 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.723 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 6.8 m . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.575 0.226 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -64.53 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 13.5 pt-20 -63.61 -25.29 68.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.95 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 32.2 tt0 -86.77 -42.51 13.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.989 -175.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.37 -36.58 79.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.28 0.562 . . . . 0.0 110.196 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 48' ' ' ILE . 58.3 tp -75.71 -29.89 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.681 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 9.7 ptm180 -72.45 -15.27 61.82 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 36.7 mt-10 -71.09 -26.2 62.94 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' OE1' ' A' ' 45' ' ' GLU . 26.6 mmtp -87.73 -23.04 24.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.233 -177.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 87.8 mt -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.184 -171.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.633 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.4 p -83.85 179.32 7.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.874 174.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.03 -33.02 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.388 0.613 . . . . 0.0 111.079 -170.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.98 -43.04 68.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.364 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 16.0 mm-40 -62.49 -42.01 99.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.681 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 90.1 mttt -58.87 -33.97 71.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.926 0.393 . . . . 0.0 111.181 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.3 m -64.21 -42.11 96.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -84.98 -22.33 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -50.64 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.9 -31.28 68.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.597 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.1 -45.85 93.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.437 ' CD1' HG11 ' A' ' 78' ' ' VAL . 48.9 tp -60.15 -29.63 68.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.995 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -59.77 -41.94 92.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.737 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -78.1 -32.42 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.92 -56.57 19.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.34 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 74.6 mt -64.14 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.35 -44.99 3.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.853 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.4 127.15 46.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.41 -43.33 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.865 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.57 90.28 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.899 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.89 -33.3 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.496 -0.414 . . . . 0.0 110.372 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.472 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 54.3 t80 -66.33 -30.22 70.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.045 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.8 t70 -54.37 -40.49 68.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.813 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -52.73 -43.62 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.632 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CE1' HG23 ' A' ' 48' ' ' ILE . 86.6 t80 -69.25 -32.35 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.314 0.578 . . . . 0.0 111.096 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 38' ' ' ASP . 42.8 mt -72.89 -10.1 59.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.086 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.45 24.93 27.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.05 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -106.52 -179.27 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.032 0.444 . . . . 0.0 112.196 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' ' 48' ' ' ILE . 37.8 t70 -71.31 140.12 50.17 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.184 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' A' ' 15' ' ' LYS . 30.9 mt-10 -56.32 -41.08 75.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.491 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.461 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 31.1 t -68.22 -30.64 69.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -81.7 -40.37 22.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.01 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.674 HG21 HD21 ' A' ' 12' ' ' LEU . 69.3 mt -61.58 -54.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.687 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.1 m -73.15 -41.26 64.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.563 0.221 . . . . 0.0 110.574 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.34 85.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.96 -45.62 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 20.7 t70 -66.17 -28.62 68.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.953 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.01 -48.93 64.38 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.04 -45.69 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.463 0.649 . . . . 0.0 109.356 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 28.1 tttt -57.07 -25.44 58.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -83.02 -53.53 5.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.882 0.372 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.32 -45.03 89.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.265 0.555 . . . . 0.0 111.274 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 74' ' ' PHE . 18.5 tp -65.93 -21.64 66.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.698 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.4 -42.24 14.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.774 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -64.26 -20.79 66.29 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.948 0.404 . . . . 0.0 110.643 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.437 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 35.5 m -84.47 97.59 9.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -151.66 113.81 4.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.593 0.711 . . . . 0.0 109.428 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.88 -133.33 4.24 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.669 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -87.91 -16.26 34.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.609 0.718 . . . . 0.0 110.102 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.44 -11.5 23.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -57.54 -57.09 14.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.564 -169.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.18 -45.8 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.97 -45.85 63.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.12 -40.16 92.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.106 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.471 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 68.7 mttm -62.69 -32.12 73.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.794 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 m -75.94 -46.45 29.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 m -70.43 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.455 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.467 ' HD2' HD13 ' A' ' 59' ' ' LEU . 18.0 t80 -62.91 -28.23 69.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.969 0.414 . . . . 0.0 110.711 -178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 93.6 mttt -56.75 -42.35 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.639 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.86 -31.82 65.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.067 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.0 m -61.08 -39.55 90.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.336 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 27' ' ' LEU . 86.4 t -62.27 -36.75 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.88 -174.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.6 mp0 -62.95 -35.45 80.17 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.067 0.46 . . . . 0.0 110.667 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.34 -12.52 83.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.75 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.72 19.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.87 33.01 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 p -77.62 50.1 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.535 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.14 -37.71 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.875 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.81 176.15 38.77 Favored Glycine 0 N--CA 1.429 -1.767 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 48' ' ' ILE . 18.6 tt -77.75 -19.16 13.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.506 0.669 . . . . 0.0 110.228 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -73.4 98.86 2.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.663 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.99 -4.9 10.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.926 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.19 113.02 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.09 -163.21 16.53 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.09 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -74.58 2.19 10.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.48 -30.64 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -114.2 -59.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.956 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.04 97.17 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.052 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 135.26 50.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.969 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.437 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 20.8 p -95.82 122.18 38.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.716 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.1 p -78.58 26.17 0.24 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.212 0.53 . . . . 0.0 111.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 96' ' ' THR . 62.2 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.315 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 19.6 m . . . . . 0 C--O 1.234 0.257 0 N-CA-C 111.158 0.059 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.4 mttp -59.0 -37.65 77.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 110.155 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.751 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 11.8 pt-20 -57.1 -44.28 83.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.323 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' HG3' ' HG3' ' A' ' 9' ' ' GLU . 47.5 mt-10 -74.34 -31.5 62.45 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 8' ' ' LYS . 75.2 mt -64.51 -43.15 94.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.751 172.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.639 HD21 HG21 ' A' ' 48' ' ' ILE . 55.8 tp -66.31 -34.58 78.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.593 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.7 mtp85 -59.76 -30.25 68.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.769 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.9 mt-10 -70.39 -26.8 63.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.467 . . . . 0.0 110.222 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -93.38 -1.61 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 88.2 mt -110.2 155.14 22.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 111.871 -173.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 t -71.99 170.91 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.562 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -70.7 -36.28 73.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.526 0.679 . . . . 0.0 110.019 -173.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.78 -38.46 89.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.309 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.4 mm100 -65.33 -38.82 91.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 91.4 mttt -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.661 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.0 m -62.15 -46.95 86.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.932 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -78.64 -13.85 59.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.74 -47.57 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -62.46 -32.14 72.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -66.03 -47.69 73.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 27' ' ' LEU . 2.9 tt -67.08 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.945 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -54.57 -40.12 68.45 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.419 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -80.04 -34.94 37.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -54.26 -49.42 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.323 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 89.6 mt -80.62 -36.84 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.19 32.17 81.59 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.694 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -150.91 129.57 12.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.66 -53.2 59.41 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.477 0.486 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -41.3 89.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.385 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -72.19 -34.65 68.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.027 0.413 . . . . 0.0 110.944 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.522 ' HA ' HD12 ' A' ' 31' ' ' LEU . 73.1 t80 -73.49 -33.96 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.0 t70 -59.05 -38.68 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.341 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -57.39 -39.26 75.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.506 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.461 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 63.9 t80 -66.51 -36.45 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.206 0.527 . . . . 0.0 110.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 38' ' ' ASP . 21.2 mt -66.72 -17.3 64.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.12 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 14.5 62.04 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.335 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 40' ' ' PHE . 25.7 m-85 -89.53 -177.43 5.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.486 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' HB3' ' HG3' ' A' ' 47' ' ' LYS . 27.0 t0 -66.21 132.95 49.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.246 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.92 -37.09 63.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -63.7 -36.1 82.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.155 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 58.3 mttm -83.44 -38.21 22.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.059 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.639 HG21 HD21 ' A' ' 12' ' ' LEU . 83.0 mt -60.4 -49.24 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.17 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.4 -37.31 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -66.27 -43.58 86.0 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.528 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -56.46 -53.49 56.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.699 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.79 -39.36 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.554 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.18 -37.79 72.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.781 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.34 -44.82 95.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.486 HG23 ' CE1' ' A' ' 74' ' ' PHE . 78.9 mt -55.67 -48.28 77.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.398 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -58.54 -31.94 68.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 m -74.15 -54.38 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 26.3 mm-40 -63.7 -47.5 80.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.528 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.84 -28.64 70.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.893 0.378 . . . . 0.0 111.114 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.45 -34.27 77.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 41.6 mtmt -66.57 -19.61 65.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.091 0.472 . . . . 0.0 110.583 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 29.3 m -86.03 69.96 10.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.494 . . . . 0.0 110.371 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -125.98 17.02 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.641 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.18 -164.56 37.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.435 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -62.18 -37.13 84.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.663 0.268 . . . . 0.0 111.538 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.42 42.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.691 0.758 . . . . 0.0 109.678 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.57 -53.8 36.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.677 -174.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.549 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -68.53 -33.68 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.731 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.48 -42.56 87.27 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.48 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 81.9 mm-40 -63.52 -41.88 98.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 175.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 87.1 mttt -55.31 -47.59 75.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 110.147 175.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 29.7 m -67.0 -35.15 79.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.249 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -76.68 -30.1 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.081 0.467 . . . . 0.0 110.9 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 55' ' ' ILE . 6.2 t80 -65.05 -30.73 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 88.5 mttt -55.74 -50.18 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.476 172.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.54 -33.48 76.02 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.034 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.8 m -59.7 -48.43 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.01 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.59 -35.07 71.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.4 tm0? -52.59 -47.3 67.01 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.214 0.53 . . . . 0.0 110.468 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.23 21.35 38.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.303 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.69 -51.1 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.01 0.48 24.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.482 0.658 . . . . 0.0 111.514 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 p -86.74 -12.52 47.96 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.41 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.0 4.14 35.81 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.129 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.45 -134.63 6.95 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 tt -170.86 -29.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.716 0.294 . . . . 0.0 110.876 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.91 -34.08 74.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.41 16.6 57.28 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.044 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -81.63 122.99 28.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.37 -145.14 10.03 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.476 ' HA ' HG13 ' A' ' 95' ' ' VAL . 3.1 p -68.08 -4.09 12.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 0.0 111.357 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -80.17 -27.63 38.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -143.85 -27.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.91 101.2 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 91' ' ' SER . 3.1 m -136.55 144.09 33.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.291 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 34.9 p -96.1 115.77 27.95 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.241 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.0 p -73.09 56.97 0.46 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.476 0.655 . . . . 0.0 110.118 172.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.547 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 78.2 m . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.852 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.472 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 39.0 m . . . . . 0 C--O 1.231 0.129 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HB2' HD13 ' A' ' 41' ' ' LEU . 55.0 mttp -51.94 -46.6 64.76 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 123.533 0.521 . . . . 0.0 111.59 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.515 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -61.45 -39.78 92.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 -178.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.5 mm-40 -72.82 -42.14 64.14 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 70.2 mt -66.11 -34.69 78.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 48' ' ' ILE . 59.4 tp -80.22 -39.86 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.5 ptm180 -65.84 -19.11 65.76 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.636 0.255 . . . . 0.0 110.394 -177.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 51.4 mt-10 -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.767 0.794 . . . . 0.0 109.862 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -96.77 15.19 22.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.37 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 95.3 mt -110.28 163.73 13.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.641 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 3.2 p -81.34 169.75 16.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.8 -33.54 74.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.628 0.727 . . . . 0.0 109.556 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.55 -44.23 96.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.671 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.59 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 11.9 mm-40 -66.28 -43.39 86.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 17' ' ' SER . 85.6 mttt -57.92 -35.23 70.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -47.21 79.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.24 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CD2' HD12 ' A' ' 59' ' ' LEU . 73.6 m80 -85.55 -13.48 48.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.03 0.443 . . . . 0.0 111.054 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.1 tm? -62.04 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 171.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.71 -35.66 76.87 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.651 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -59.35 -45.05 92.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.476 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 20.8 mt -64.74 -25.75 68.06 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.7 ttmm -61.75 -34.73 76.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -81.4 -42.66 20.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.838 171.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -56.04 -55.5 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.924 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 36' ' ' GLU . 4.4 mm? -59.36 -31.31 69.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.563 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.64 4.98 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.425 HD22 ' HG2' ' A' ' 36' ' ' GLU . 35.8 t30 -82.63 120.09 25.11 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 171.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.54 -28.25 69.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 -37.2 94.44 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.381 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 31' ' ' LEU . 11.6 mm-40 -72.85 -24.72 60.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.044 0.45 . . . . 0.0 110.935 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 73.8 t80 -75.79 -34.32 60.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.479 -0.564 . . . . 0.0 109.479 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 41' ' ' LEU . 37.1 t70 -59.96 -43.72 94.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.51 0.671 . . . . 0.0 109.736 172.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 52.5 tptt -51.53 -44.51 62.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.829 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 73.0 t80 -62.3 -38.91 91.24 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.918 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 8' ' ' LYS . 51.0 mt -72.16 -11.63 60.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.133 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.74 35.61 4.63 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.115 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' A' ' 40' ' ' PHE . 26.0 m-85 -115.63 178.97 4.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.497 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 13.9 t70 -67.41 139.78 57.14 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.31 -42.35 52.54 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.624 0.578 . . . . 0.0 111.336 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -72.63 -33.62 66.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.385 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE2' ' CB ' ' A' ' 44' ' ' ASP . 41.1 mtmt -75.65 -34.94 60.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 12' ' ' LEU . 73.2 mt -62.21 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.958 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.2 mttt -65.29 -37.13 86.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.47 -178.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -65.49 -40.41 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.467 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.27 -53.36 54.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.07 -46.11 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.8 -38.44 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.68 -44.34 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.598 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 51' ' ' ALA . 81.5 mt -53.56 -45.77 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.33 -41.37 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.924 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.1 t -57.7 -48.75 78.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.431 . . . . 0.0 110.808 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 96' ' ' THR . 13.0 mm-40 -70.26 -41.88 72.88 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.531 HD22 ' HG2' ' A' ' 71' ' ' LYS . 42.4 mt -71.78 -20.59 61.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.298 0.571 . . . . 0.0 110.359 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.72 -28.4 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.482 0.658 . . . . 0.0 109.57 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.21 84.09 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.778 -172.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -131.28 15.89 5.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.064 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -151.08 26.35 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.785 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -81.17 -7.22 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 110.766 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -92.57 -0.27 57.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.749 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.14 2.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -166.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -41.17 86.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.174 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.44 -47.14 64.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.475 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -62.48 -37.18 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.531 ' HG2' HD22 ' A' ' 59' ' ' LEU . 96.9 mttt -57.63 -49.63 75.8 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.312 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -39.21 93.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.369 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -76.02 -30.67 58.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.866 0.365 . . . . 0.0 110.755 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 78' ' ' VAL . 8.6 t80 -64.59 -33.56 76.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.854 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 91.7 mttt -52.55 -43.08 64.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.836 175.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -70.64 -36.85 73.64 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.726 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.8 m -65.69 -42.89 90.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.676 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.551 HG11 HD21 ' A' ' 27' ' ' LEU . 62.5 t -68.29 -31.66 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 73.9 mt-30 -55.74 -47.35 77.08 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 110.597 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.85 7.66 53.96 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.312 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.09 -50.79 2.93 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.6 0.238 . . . . 0.0 111.015 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 HD21 ' A' ' 31' ' ' LEU . 91.9 mt -74.19 -33.6 63.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.293 0.568 . . . . 0.0 112.029 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 t -75.59 -27.42 58.52 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.902 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.65 -48.59 5.8 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.648 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.13 116.94 0.42 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.284 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.0 tt -72.96 -12.76 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.576 0.703 . . . . 0.0 110.07 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.53 -17.32 64.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.186 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.29 30.12 4.61 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.424 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -84.1 121.79 27.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.22 -156.34 15.02 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.002 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -77.92 0.4 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.451 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -84.88 -38.28 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -118.34 -12.08 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.19 105.69 5.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.814 0.34 . . . . 0.0 111.286 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.41 149.19 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.655 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 16.8 p -92.93 118.62 31.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 p -71.6 47.24 0.13 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.328 0.585 . . . . 0.0 111.065 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.655 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 84.4 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.02 0.438 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 11' ' ' LEU . 98.0 mttt -63.95 -36.08 82.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.924 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.14 -32.11 72.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.724 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.85 -28.6 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.88 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 8' ' ' LYS . 28.6 mt -78.92 -49.67 12.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 175.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 49.8 tp -65.06 -39.68 93.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.857 -175.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptm180 -59.92 -27.68 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 111.187 -176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.65 -32.51 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 0.0 110.263 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -95.34 2.11 54.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.444 -176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 84.9 mt -97.66 177.46 5.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 73.3 p -82.98 -176.51 6.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.9 -41.21 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.186 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -44.3 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.599 0.238 . . . . 0.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.2 mt-30 -57.25 -30.78 64.93 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.5 mttt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 110.633 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -70.82 -23.78 62.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.7 mt -62.79 -51.34 67.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 170.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.86 -32.93 73.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.521 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -63.22 -46.46 86.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.862 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 33.4 tp -61.86 -32.28 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -56.41 -43.6 79.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.997 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.39 -37.56 51.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.127 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -61.19 -45.42 94.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.096 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' HG2' ' A' ' 79' ' ' GLN . 95.2 mt -77.37 -41.7 39.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.399 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.24 13.36 67.3 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.687 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 54.6 t-20 -139.17 129.84 26.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.63 -45.24 89.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.597 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.86 92.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.802 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 14.4 mm-40 -68.33 -37.41 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.824 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.657 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.5 t80 -74.52 -40.74 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -53.06 -45.54 68.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.172 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 51.2 pttt -62.44 -26.99 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.787 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 48' ' ' ILE . 90.5 t80 -69.45 -41.58 76.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 37' ' ' PHE . 2.1 mm? -66.14 -23.39 66.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.324 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.65 42.33 3.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.504 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -127.28 179.37 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' HG13 ' A' ' 48' ' ' ILE . 26.0 t70 -62.12 128.79 37.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.957 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.46 -36.07 68.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.692 0.282 . . . . 0.0 111.452 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.482 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 40.7 m -73.02 -29.9 63.36 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.246 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.55 -39.92 57.53 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.616 HG21 HD21 ' A' ' 12' ' ' LEU . 72.4 mt -60.62 -52.34 62.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.218 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HE2' HD23 ' A' ' 16' ' ' LEU . 99.5 mttt -61.1 -34.61 75.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.353 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.6 m -67.97 -45.44 74.19 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.415 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.2 -49.2 77.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.63 -40.48 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.408 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.36 -35.5 75.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.11 -44.87 87.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 51' ' ' ALA . 80.6 mt -52.49 -46.92 48.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 65.7 tttp -58.82 -49.66 76.86 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.645 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -51.49 -36.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.534 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 66.3 mm-40 -87.99 -49.59 6.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.607 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -67.41 -27.4 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.781 0.324 . . . . 0.0 111.663 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 4.0 t70 -70.31 -13.62 62.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.713 -177.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.46 -36.94 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.366 0.603 . . . . 0.0 110.262 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.649 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 2.8 m -96.57 99.54 11.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.646 -172.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -125.19 0.65 7.82 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.696 0.284 . . . . 0.0 111.064 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.61 -175.68 48.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.112 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -69.1 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.729 0.412 . . . . 0.0 111.358 -177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.48 -12.23 61.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.663 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -64.71 -23.27 67.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.034 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.18 -42.11 85.36 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.388 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -68.47 -32.72 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 110.377 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.41 -31.29 68.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.994 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 78.5 mttt -64.58 -41.04 96.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.502 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 22.0 m -64.51 -31.77 73.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.562 175.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.7 m -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.189 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -63.24 -29.95 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.408 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 88.7 mttt -54.09 -47.14 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.479 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.33 -34.99 73.32 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.197 -178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 94' ' ' ALA . 26.8 m -60.5 -45.48 93.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.682 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 74' ' ' PHE . 69.1 t -67.69 -39.24 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.511 ' HG2' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.21 -45.04 84.19 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.252 177.394 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.55 -27.23 67.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.643 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.95 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.834 0.35 . . . . 0.0 111.08 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.8 mt -77.3 5.42 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.181 0.515 . . . . 0.0 111.475 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -84.29 -21.56 31.0 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.7 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.36 16.73 21.91 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.872 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.46 155.88 12.64 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.575 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -91.21 -17.61 7.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 110.344 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.64 -41.28 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.445 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.97 3.72 85.77 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.108 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -71.17 122.86 20.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.26 -151.32 15.28 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.756 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.1 -0.74 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.406 . . . . 0.0 111.78 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -72.81 -22.0 60.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.723 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -146.17 -48.45 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.801 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -83.2 98.5 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.0 111.524 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 58' ' ' GLU . 2.5 m -142.96 149.97 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.469 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 58' ' ' GLU . 15.9 p -98.01 114.73 26.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.703 0.764 . . . . 0.0 111.315 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 p -78.72 24.85 0.28 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.939 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.42 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.575 0.226 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -53.82 -42.53 68.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.59 -39.44 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 6.8 mm-40 -69.78 -44.82 69.34 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.25 -37.32 77.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.327 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 48' ' ' ILE . 40.8 tp -67.48 -39.85 85.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.371 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 46.4 mtt85 -54.98 -34.14 63.11 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 111.14 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 31.8 mt-10 -69.82 -25.44 63.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -102.01 -3.7 27.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.517 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 56.5 mt -100.03 166.35 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.503 0.668 . . . . 0.0 111.382 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 29.6 t -79.57 174.5 11.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.854 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.07 -36.46 61.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.247 0.546 . . . . 0.0 110.327 -172.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.09 -39.33 86.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.361 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.25 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.81 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.6 mttt -63.76 -40.15 96.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.386 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 m -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.755 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.69 -16.78 59.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 15.9 mt -68.35 -48.45 64.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.31 -40.0 94.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -64.4 -47.5 78.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.566 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD13 HG11 ' A' ' 78' ' ' VAL . 49.0 tp -67.22 -32.43 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.004 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.59 -39.59 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.568 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.51 -50.14 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.15 -37.34 64.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.18 -45.24 3.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.748 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -95.54 124.29 39.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 110.712 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.47 -35.91 78.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.696 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.14 -35.18 91.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.557 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -77.83 -27.32 49.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.054 0.454 . . . . 0.0 110.465 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 47.9 t80 -73.42 -33.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.6 t70 -55.97 -43.87 77.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.67 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -51.9 30.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.505 176.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.6 t80 -63.97 -40.4 96.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 87.3 mt -66.87 -17.42 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.687 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 23.29 36.06 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.772 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -104.98 175.23 5.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.437 . . . . 0.0 111.616 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.37 138.75 58.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.128 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -54.97 -37.04 66.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.834 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -62.75 -36.46 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.318 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.9 -37.96 19.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.243 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.61 HG21 HD21 ' A' ' 12' ' ' LEU . 71.5 mt -60.05 -53.14 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.01 176.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.9 mttt -62.91 -31.25 72.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.671 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -70.04 -45.37 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.9 -42.67 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.1 -38.84 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -65.54 -46.08 80.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 74' ' ' PHE . 86.5 mt -54.32 -46.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -58.07 -33.97 69.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.173 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 m -74.75 -50.36 17.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.511 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.57 ' HB3' HG23 ' A' ' 96' ' ' THR . 27.4 mm-40 -66.12 -48.36 71.09 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.194 -0.203 . . . . 0.0 111.322 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD11 ' HG2' ' A' ' 71' ' ' LYS . 25.6 tp -58.8 -26.01 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.35 -175.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.9 -29.29 66.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.675 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -71.22 -26.91 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.81 0.338 . . . . 0.0 111.833 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.0 m -97.37 72.01 2.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.516 . . . . 0.0 110.893 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.64 13.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.01 -144.77 14.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.81 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.05 -29.0 67.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.101 0.477 . . . . 0.0 110.986 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.93 15.82 27.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.096 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -55.4 -67.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -166.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -62.94 -31.14 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.578 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -71.2 -40.75 70.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 85.0 mm-40 -70.59 -34.51 72.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.72 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 90.4 mttt -55.35 -47.44 75.72 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 109.6 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.433 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 29.7 m -62.99 -35.11 79.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.874 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.6 m -75.19 -35.21 61.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.138 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CE1' HG23 ' A' ' 55' ' ' ILE . 7.5 t80 -64.93 -29.37 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.062 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 97.7 mttt -57.77 -35.66 71.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.186 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -75.08 -36.02 61.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.564 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 94' ' ' ALA . 31.9 m -63.4 -46.22 87.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.725 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.1 t -59.62 -35.59 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -56.22 -43.78 78.89 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 111.051 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.37 -18.37 79.95 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.157 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . . . -73.87 -54.85 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.584 0.231 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.529 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.7 mm? -75.77 -0.95 22.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.302 0.572 . . . . 0.0 111.585 -178.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -77.41 -24.42 50.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.398 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.61 25.67 20.48 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.2 134.87 5.79 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.719 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 tt -65.51 -19.89 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.288 0.566 . . . . 0.0 110.752 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.92 -16.53 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.72 20.54 36.41 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CE1' HD21 ' A' ' 82' ' ' LEU . 19.7 t80 -85.85 119.31 26.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.32 -163.4 28.23 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.271 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 m -73.63 5.95 3.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.45 . . . . 0.0 111.454 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -93.31 -19.73 21.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 110.634 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.513 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 28.1 p-10 -137.83 -37.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.693 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -104.48 96.31 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.566 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.16 147.57 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 111.331 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.57 HG23 ' HB3' ' A' ' 58' ' ' GLU . 8.3 p -89.26 108.72 19.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.114 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.5 p -81.53 29.28 0.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 58.6 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.024 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.25 -44.29 75.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.43 -35.8 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.536 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 4.8 mm-40 -71.61 -17.02 62.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.551 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -99.32 -43.48 6.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.139 0.495 . . . . 0.0 109.993 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.73 HD21 HG21 ' A' ' 48' ' ' ILE . 59.9 tp -64.3 -40.65 96.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.953 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 8.0 ptm180 -60.82 -29.66 69.61 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.37 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.99 -32.77 71.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -85.54 -1.88 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.585 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.6 mt -95.71 176.72 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.194 0.521 . . . . 0.0 111.537 -176.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.9 m -88.13 169.44 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.665 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.53 -35.29 75.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.421 . . . . 0.0 110.416 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.43 -56.68 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 82.5 mt-30 -58.77 -36.95 75.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.105 -173.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.4 mttt -59.98 -37.84 80.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.037 0.446 . . . . 0.0 110.928 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 m -70.61 -36.06 73.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.491 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -77.06 -21.13 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.318 -178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 4.4 mt -62.93 -47.08 84.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 33.1 t70 -63.36 -41.5 98.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.14 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.09 -49.42 77.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD13 HG11 ' A' ' 78' ' ' VAL . 46.9 tp -62.79 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.134 -179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.45 -52.83 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 25.3 mm-40 -62.9 -39.49 94.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.872 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.6 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD23 ' HG2' ' A' ' 79' ' ' GLN . 94.1 mt -75.95 -43.51 44.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.206 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.45 -61.43 4.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.319 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -68.45 132.08 46.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.082 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.99 73.13 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.354 -176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.58 -34.71 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.393 -0.475 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 32.6 t80 -72.79 -38.69 67.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 41' ' ' LEU . 14.8 t70 -58.41 -38.89 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.995 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -51.22 -53.54 34.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.356 176.371 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.607 ' CE2' HG23 ' A' ' 48' ' ' ILE . 84.4 t80 -63.17 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.932 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 73.6 mt -65.83 -15.43 62.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.761 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.63 13.7 63.81 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.676 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 25.6 m-85 -93.05 -178.22 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 0.0 111.697 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' ' 48' ' ' ILE . 14.9 t70 -72.26 136.62 46.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.116 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.56 -37.59 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.071 0.232 . . . . 0.0 111.322 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -68.07 -32.4 72.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.995 0.426 . . . . 0.0 110.238 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.47 -37.96 22.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.126 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.73 HG21 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -60.5 -50.92 78.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.224 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HE2' HD23 ' A' ' 16' ' ' LEU . 97.6 mttt -66.06 -33.91 76.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.247 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -67.71 -42.41 82.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.511 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.56 -48.11 82.49 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.13 -41.04 97.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.639 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.44 -40.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -62.11 -44.03 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.5 mt -50.67 -48.56 27.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.798 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.843 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 m -57.31 -43.95 83.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.534 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 31.7 mm-40 -69.63 -45.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.05 177.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.22 -34.74 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -25.86 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.429 -177.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 53.0 mttm -68.37 -28.66 67.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.269 0.557 . . . . 0.0 110.575 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 3.8 m -89.34 87.58 7.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.913 -173.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -140.26 103.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.843 0.83 . . . . 0.0 109.144 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.467 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . 167.02 -160.38 34.05 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.715 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -69.8 -27.63 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.292 0.546 . . . . 0.0 111.684 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.1 m-20 -93.36 0.65 56.98 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -55.54 -43.56 75.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.13 -48.09 71.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.505 0.669 . . . . 0.0 110.953 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -72.27 -45.05 61.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.456 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.617 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.1 mm100 -60.54 -45.63 93.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.311 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.57 -39.92 95.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 0.0 110.19 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -64.27 -47.08 80.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.091 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.2 m -70.18 -24.47 63.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 111.117 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 t80 -66.69 -30.78 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 93.4 mttt -56.02 -39.51 72.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 18.3 mt-30 -71.31 -39.77 71.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.462 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.4 m -60.45 -48.18 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.774 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.2 t -63.65 -34.06 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.539 ' HG2' HD23 ' A' ' 31' ' ' LEU . 63.9 mt-30 -55.52 -38.65 69.51 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.75 6.62 83.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.95 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.551 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -97.23 -55.78 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.605 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.4 mm? -88.89 24.57 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.629 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -64.79 -35.59 81.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.167 0.508 . . . . 0.0 110.047 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.25 72.17 0.1 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.982 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.87 108.4 0.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.113 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.0 tt -91.3 -22.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.72 103.16 8.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.16 -10.79 6.19 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -171.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' A' ' 82' ' ' LEU . 13.5 t80 -66.14 115.43 6.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.79 -152.19 10.57 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -75.04 13.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.009 0.433 . . . . 0.0 111.539 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -99.75 -40.23 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -119.8 -13.75 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.68 98.02 3.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.727 0.298 . . . . 0.0 110.75 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.435 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 4.0 m -136.93 144.29 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 21.0 p -97.79 115.84 28.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 171.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -75.31 51.92 0.58 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.447 0.641 . . . . 0.0 110.228 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.708 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 74.6 m . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.885 -172.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 20.4 m . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -59.62 -25.21 64.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.849 -0.159 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.02 -38.58 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.298 177.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -72.57 -28.11 62.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.007 0.432 . . . . 0.0 110.415 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 7' ' ' SER . 75.2 mt -73.84 -33.48 64.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.0 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.0 tp -71.13 -32.02 68.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 49.3 mtt180 -56.65 -34.14 67.02 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.77 -24.7 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.861 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.996 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 74.5 mt -102.5 175.02 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 112.019 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.0 p -96.12 -176.78 3.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.288 171.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.6 -36.21 65.48 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.299 0.571 . . . . 0.0 110.732 -169.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -65.9 -43.82 87.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.334 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 94.3 mt-30 -66.45 -36.15 82.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.608 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 87.5 mttt -62.25 -31.11 71.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.084 0.469 . . . . 0.0 110.462 176.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -70.52 -37.49 74.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.106 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 38.5 m80 -70.49 -29.71 66.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.109 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD11 HD23 ' A' ' 12' ' ' LEU . 15.4 mt -61.3 -49.3 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 173.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.74 -47.18 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.62 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -59.73 -50.95 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.694 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.89 -35.55 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -55.45 -49.62 71.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.385 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -77.99 -30.09 49.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.752 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.54 -51.86 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.519 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.57 -38.01 77.2 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.125 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.2 -1.08 61.34 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.586 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -132.07 115.52 15.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 1.5 m-20 -63.76 -21.28 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.047 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.55 -47.71 33.15 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.751 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.66 -37.77 70.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.324 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' HD22 ' A' ' 24' ' ' LEU . 58.3 t80 -65.72 -35.46 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 20.4 t70 -58.45 -39.07 78.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.141 0.496 . . . . 0.0 110.902 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.85 -32.27 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.256 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE2' HG23 ' A' ' 48' ' ' ILE . 72.0 t80 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.13 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 41' ' ' LEU . 2.6 mm? -70.41 -27.16 64.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.22 3.24 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.15 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.17 -177.3 4.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 39.2 t0 -68.59 129.33 39.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.61 174.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -52.79 -35.64 57.03 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.215 0.322 . . . . 0.0 110.789 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -64.96 -39.48 93.55 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.044 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 38.0 mttp -76.45 -38.36 55.54 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.305 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.616 HG23 ' CE2' ' A' ' 40' ' ' PHE . 73.4 mt -59.63 -55.16 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.005 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HE2' HD23 ' A' ' 16' ' ' LEU . 96.5 mttt -65.54 -31.74 72.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.62 -177.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -72.54 -39.46 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.21 -47.9 84.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 177.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.67 -42.94 97.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.074 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 9.1 t70 -69.75 -27.71 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -177.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.38 -47.65 69.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.464 HG22 HD22 ' A' ' 59' ' ' LEU . 76.6 mt -53.6 -43.38 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.676 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 80.6 tttt -56.56 -48.74 76.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.259 176.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.9 m -64.92 -44.35 89.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 37.1 mm-40 -61.7 -41.46 97.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD22 HG22 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -61.64 -29.81 70.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.557 178.368 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -74.33 -22.51 59.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.667 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 46.4 mtpt -73.41 -27.45 61.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.664 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 5.9 m -98.07 100.85 12.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -139.83 24.41 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.658 0.266 . . . . 0.0 111.617 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.22 -152.22 28.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.568 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -78.25 -16.19 58.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.637 0.732 . . . . 0.0 109.652 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.0 p-10 -98.81 9.93 42.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.126 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.21 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.981 0.419 . . . . 0.0 111.707 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.88 -34.13 74.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.43 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -72.77 -39.05 67.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.2 mm100 -68.41 -33.53 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.465 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.68 -33.98 68.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.257 0.551 . . . . 0.0 110.149 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.546 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 34.8 m -79.45 -40.69 29.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.009 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.5 m -69.18 -32.25 71.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.113 0.483 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.6 t80 -65.28 -24.01 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.971 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' A' ' 72' ' ' THR . 94.9 mttt -59.59 -39.28 83.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.319 0.581 . . . . 0.0 110.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -71.23 -35.5 71.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.201 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.1 m -60.35 -47.67 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.55 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 74' ' ' PHE . 56.8 t -64.87 -35.62 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.079 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -54.92 -37.27 66.17 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 111.165 175.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.72 -20.32 51.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.67 -40.97 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.658 0.266 . . . . 0.0 111.466 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.1 mt -91.6 36.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.447 . . . . 0.0 110.428 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -77.37 38.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.841 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.13 -11.81 10.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.822 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.27 129.5 6.1 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.779 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.54 -26.42 3.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.865 0.364 . . . . 0.0 110.799 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.84 -16.89 60.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.613 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.21 10.65 54.85 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -85.94 121.64 28.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.004 0.43 . . . . 0.0 109.967 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.11 -148.84 15.3 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.327 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 t -68.37 -1.38 6.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -81.57 -26.87 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -146.3 -21.33 0.44 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -129.61 104.67 7.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.53 143.46 36.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.664 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 8.7 p -79.95 101.38 8.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.571 0.701 . . . . 0.0 110.432 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.6 t -78.62 35.44 0.24 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.951 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.214 179.522 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.568 ' HG3' ' OD2' ' A' ' 38' ' ' ASP . 27.6 mmtp -47.36 -45.69 25.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.199 0.523 . . . . 0.0 111.042 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HA ' HD11 ' A' ' 41' ' ' LEU . 7.2 pt-20 -58.03 -45.11 87.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.417 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 3.6 mm-40 -67.8 -38.15 82.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -175.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 68.0 mt -59.9 -36.43 76.96 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.47 0.481 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.891 HD21 HG21 ' A' ' 48' ' ' ILE . 52.4 tp -83.42 -36.94 23.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.791 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.581 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 20.1 mtp180 -60.23 -24.55 64.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.26 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.0 mt-10 -58.5 -35.84 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.405 0.621 . . . . 0.0 110.113 173.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -103.1 11.77 36.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.292 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 89.9 mt -117.9 166.26 12.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.628 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 52.5 p -87.95 175.59 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.23 -36.24 83.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 110.012 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.53 -54.15 47.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.2 mt-30 -65.18 -31.53 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.959 -173.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 17' ' ' SER . 89.5 mttt -65.5 -38.06 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.6 m -70.67 -36.1 73.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -71.44 -20.98 62.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 24' ' ' LEU . 15.6 mt -70.68 -44.31 67.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.08 -34.58 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.062 0.458 . . . . 0.0 110.07 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.64 -47.79 77.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.337 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG11 ' A' ' 78' ' ' VAL . 3.4 mt -63.6 -33.02 74.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.288 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.23 -40.9 78.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.567 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.44 -35.46 46.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.732 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -56.41 -56.79 16.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 4.0 mm? -64.27 -38.07 89.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.327 173.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.75 24.42 75.49 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -159.76 124.0 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.9 -32.51 73.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.998 0.427 . . . . 0.0 110.028 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.98 -36.56 91.16 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 178.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -79.29 -33.88 42.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' O ' HD23 ' A' ' 41' ' ' LEU . 21.8 t80 -69.3 -35.29 75.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.568 ' OD2' ' HG3' ' A' ' 8' ' ' LYS . 25.0 t70 -50.04 -42.51 49.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.19 174.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.611 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.5 tpmt? -52.12 -34.45 44.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.65 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.536 ' CE1' HG23 ' A' ' 48' ' ' ILE . 88.0 t80 -73.52 -39.13 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.339 0.59 . . . . 0.0 110.246 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.8 mm? -66.03 -26.63 67.61 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.953 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.69 37.16 3.38 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.759 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -117.92 -174.29 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.234 0.54 . . . . 0.0 111.007 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 48' ' ' ILE . 33.3 t70 -74.29 135.44 42.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.512 178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -55.66 -41.33 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.142 0.276 . . . . 0.0 111.436 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 19.1 m -69.36 -27.52 65.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.649 0.261 . . . . 0.0 110.385 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.63 -39.86 21.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.062 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.891 HG21 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -61.44 -50.61 79.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.536 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.42 -35.42 79.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.7 m -69.48 -42.13 75.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.582 176.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.8 -47.58 84.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.25 -39.61 89.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -46.78 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.338 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 51' ' ' ALA . 73.6 mt -54.05 -49.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.162 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.36 -47.63 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.957 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -56.8 -55.54 33.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.794 -176.659 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.602 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 70.7 mm-40 -58.65 -49.57 77.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.215 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 71' ' ' LYS . 10.4 tp -65.61 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.163 -174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.84 -25.4 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.901 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.602 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 7.7 mtmp? -79.03 -2.56 40.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 83.0 m -84.57 89.42 7.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.699 0.762 . . . . 0.0 111.143 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -137.77 100.89 4.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.824 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.23 -152.19 11.83 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.381 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -77.26 -40.37 44.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.852 0.358 . . . . 0.0 111.522 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -103.76 29.13 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.493 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.4 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.648 0.261 . . . . 0.0 111.421 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.12 -38.97 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.417 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -72.53 -42.5 64.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.1 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.87 -40.43 95.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.964 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' HA ' HD11 ' A' ' 59' ' ' LEU . 99.7 mttt -66.26 -19.83 65.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.469 . . . . 0.0 110.875 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 m -88.83 -44.05 10.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -69.85 -28.5 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.371 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 59' ' ' LEU . 5.1 t80 -59.25 -27.76 66.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.577 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 95.5 mttt -58.24 -44.53 88.33 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 89.6 mt-30 -70.71 -35.0 72.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -59.62 -46.59 88.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 27' ' ' LEU . 58.0 t -67.43 -33.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 8.8 mm-40 -54.72 -50.28 68.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.873 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.65 -19.87 75.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.938 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 94' ' ' ALA . . . -75.86 -39.31 56.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.4 mt -78.26 -5.83 53.17 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.546 0.689 . . . . 0.0 110.252 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -82.97 58.91 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.605 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -14.02 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.436 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.36 142.96 7.14 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -68.16 -24.64 30.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.236 0.541 . . . . 0.0 110.232 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.62 95.99 7.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.5 -11.5 6.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -63.89 116.5 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.05 -160.25 23.17 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.889 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.471 ' HA ' HG13 ' A' ' 95' ' ' VAL . 13.7 p -68.59 -5.37 19.51 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -85.64 -9.85 56.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.398 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -148.33 -32.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.736 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . . . -115.96 102.26 9.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 111.079 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' ' 91' ' ' SER . 2.7 m -136.58 154.54 32.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.142 0.496 . . . . 0.0 111.344 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.552 ' C ' ' H ' ' A' ' 98' ' ' CYS . 40.7 p -97.52 125.8 42.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 165.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -74.03 30.74 0.08 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.826 0.822 . . . . 0.0 110.371 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' CYS . 92.3 m . . . . . 0 N--CA 1.446 -0.631 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.928 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 67.4 mttm -59.07 -37.95 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HA ' HD22 ' A' ' 41' ' ' LEU . 7.6 pt-20 -62.87 -32.95 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.708 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 44.4 mt-10 -72.14 -55.51 7.18 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.336 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.511 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 75.0 mt -58.58 -38.77 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.129 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.495 HD21 HG21 ' A' ' 48' ' ' ILE . 61.3 tp -69.76 -37.26 76.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.023 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.566 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.6 ptm180 -77.87 -14.55 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.815 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.7 mt-10 -70.58 -25.38 63.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.466 0.65 . . . . 0.0 109.332 173.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.981 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 13' ' ' ARG . 93.9 mt -107.36 155.46 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.002 -175.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.1 p -79.21 178.81 7.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.34 -37.2 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.25 0.547 . . . . 0.0 110.215 -169.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -64.5 -45.69 86.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.39 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.1 mm100 -65.4 -32.26 73.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.667 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 17' ' ' SER . 98.2 mttt -63.91 -35.64 81.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.098 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.6 m -66.67 -48.62 68.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.2 m80 -70.67 -21.4 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.062 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.19 -51.57 65.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.436 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.4 t70 -65.25 -38.92 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.517 177.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 88.9 t90 -58.25 -44.2 88.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.608 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.04 -30.73 71.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE3' ' CD1' ' A' ' 37' ' ' PHE . 2.9 ttmt -60.83 -48.11 83.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.307 175.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.77 -38.36 88.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.24 -49.1 75.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.409 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.487 HD23 ' HG2' ' A' ' 79' ' ' GLN . 90.3 mt -74.87 -30.58 61.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.87 -61.22 4.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.42 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.448 HD22 ' HG2' ' A' ' 36' ' ' GLU . 44.3 t30 -80.29 126.42 31.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.78 -34.15 71.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.198 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.26 99.59 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.602 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HG2' HD22 ' A' ' 33' ' ' ASN . 13.2 mm-40 -75.62 -28.14 58.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 40.8 t80 -73.44 -36.7 65.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.874 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.3 t70 -57.9 -37.73 74.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.121 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 4.4 tppp? -50.0 -46.92 53.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.642 176.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 84.4 t80 -67.99 -33.32 74.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 38' ' ' ASP . 56.5 mt -74.69 2.83 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.005 -175.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.96 36.48 2.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.196 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 16.1 m-85 -112.61 -177.73 3.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.272 0.558 . . . . 0.0 112.267 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.545 ' O ' HG13 ' A' ' 48' ' ' ILE . 23.4 t70 -66.14 131.69 46.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.354 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 12.1 mt-10 -55.54 -38.93 69.92 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 111.61 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -72.97 -34.05 66.24 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.288 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.554 ' HD3' HG23 ' A' ' 86' ' ' ILE . 64.0 mttp -70.95 -39.5 72.57 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 44' ' ' ASP . 59.7 mt -60.1 -50.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.346 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 33.4 mmtp -57.24 -47.27 81.77 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.559 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.3 m -58.23 -46.13 86.47 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.75 -50.66 73.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.56 -47.31 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.555 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.57 -38.01 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.049 0.452 . . . . 0.0 110.77 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.49 -47.69 77.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.196 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.426 HG23 ' HE2' ' A' ' 74' ' ' PHE . 87.0 mt -54.18 -45.33 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.107 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.2 -45.16 91.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.0 p -66.36 -44.86 82.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.71 ' HB3' HG23 ' A' ' 96' ' ' THR . 62.1 mm-40 -62.24 -43.57 98.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.406 . . . . 0.0 111.016 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.76 -25.75 68.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.36 -17.05 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.37 -36.59 39.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 8.3 m -90.88 83.05 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 -171.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.21 80.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.126 0.488 . . . . 0.0 110.704 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.5 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -143.37 -149.86 5.18 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 173.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.66 -27.17 67.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.488 . . . . 0.0 111.016 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.11 20.08 19.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.395 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -58.93 -54.7 44.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.979 0.419 . . . . 0.0 110.986 -173.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.51 -38.47 81.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.015 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -71.63 -46.35 59.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.392 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.62 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 87.0 mm-40 -63.76 -41.24 98.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.174 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 65.2 mttm -59.9 -43.16 94.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.097 0.475 . . . . 0.0 110.087 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.533 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 64.5 m -70.28 -27.67 64.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 m -74.28 -37.61 63.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.126 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.6 t80 -63.12 -30.95 72.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.453 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 92.5 mttt -53.9 -42.11 68.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.166 0.508 . . . . 0.0 110.426 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -74.43 -34.25 63.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.382 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.3 m -62.87 -49.05 76.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.0 t -64.39 -36.47 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.495 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HG2' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.44 -38.46 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.156 0.503 . . . . 0.0 110.894 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.96 6.23 82.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.767 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -97.34 -49.79 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.839 0.319 . . . . 0.0 111.453 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.575 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.3 mm? -86.21 9.4 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.439 . . . . 0.0 111.677 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -67.64 -34.8 77.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.388 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.71 30.15 4.27 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.347 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.67 169.73 12.72 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.888 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG23 ' HD3' ' A' ' 47' ' ' LYS . 15.0 tt -118.58 -2.48 9.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.496 0.665 . . . . 0.0 109.932 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.46 -40.63 85.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.422 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.66 25.3 28.54 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.291 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.539 ' CE2' HD21 ' A' ' 82' ' ' LEU . 13.2 t80 -83.78 126.88 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.22 -149.58 15.74 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.577 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -72.91 -0.99 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.031 0.443 . . . . 0.0 110.747 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.81 -29.13 24.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.984 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -134.0 -33.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.71 94.07 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.38 142.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' ' 58' ' ' GLU . 6.6 p -73.64 108.4 6.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.157 0.503 . . . . 0.0 110.764 172.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 p -74.44 61.11 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.624 172.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 62.9 m . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.833 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -62.82 -29.09 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.263 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.2 pt-20 -65.16 -39.97 93.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 2.0 mp0 -57.55 -35.47 70.38 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 110.637 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 mt -79.36 -42.38 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.326 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.742 HD21 HG21 ' A' ' 48' ' ' ILE . 61.6 tp -66.75 -40.34 88.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.614 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 23.0 mtp180 -61.46 -27.36 68.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.026 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 42.6 mt-10 -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -98.49 -5.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 97.4 mt -92.1 164.53 13.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.383 . . . . 0.0 111.079 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.602 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 55.0 p -85.89 178.7 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.035 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -58.61 -48.4 81.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.204 0.526 . . . . 0.0 110.751 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.28 -52.76 64.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.208 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 94.9 mttt -66.89 -46.11 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -77.15 -35.96 55.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -66.7 -23.9 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.384 . . . . 0.0 110.76 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.518 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 25.0 tp -69.97 -38.78 76.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.694 177.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.97 -48.21 82.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 172.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -53.56 -47.53 69.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.195 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 31' ' ' LEU . 52.4 tp -58.06 -49.37 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.586 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 23.6 ttpt -56.5 -49.95 73.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.351 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.96 -34.72 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.937 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 -55.6 19.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.91 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 mp -60.84 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.71 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 -63.2 2.39 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.666 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -77.51 132.3 38.32 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.824 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -59.04 -33.75 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.195 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.69 -36.85 93.86 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.691 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.79 -39.99 29.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.995 0.426 . . . . 0.0 110.106 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 28' ' ' LYS . 20.1 t80 -64.37 -34.74 78.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.665 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.47 -50.53 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.556 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.15 -39.74 66.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.384 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 79.8 t80 -68.57 -40.87 80.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.145 0.498 . . . . 0.0 111.273 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 67.9 mt -65.75 -19.09 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.788 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.55 31.25 8.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.023 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 14.0 m-85 -103.0 -177.62 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.208 0.528 . . . . 0.0 111.728 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.64 133.43 49.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.041 175.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -57.34 -42.23 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -62.49 -23.75 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.17 -40.93 11.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.742 HG21 HD21 ' A' ' 12' ' ' LEU . 79.4 mt -60.75 -53.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.351 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.1 -38.26 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.212 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.4 m -67.29 -40.52 86.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.618 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.7 -47.94 83.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.762 0.315 . . . . 0.0 110.664 177.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.53 -43.14 94.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.31 -29.12 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 0.0 111.063 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.84 -43.08 80.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 51' ' ' ALA . 86.3 mt -54.35 -49.02 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.412 0.625 . . . . 0.0 109.758 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -56.74 -39.36 73.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.176 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 m -63.69 -46.43 85.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.976 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.74 -40.76 72.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.473 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.69 -25.26 67.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.7 -25.57 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.506 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -74.9 -29.37 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.708 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 3.2 m -109.76 93.55 4.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.533 -173.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 63.3 m-80 -142.24 29.47 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.05 -131.55 7.35 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.389 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -82.21 -6.34 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.845 0.831 . . . . 0.0 109.523 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -98.32 -6.58 30.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.502 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . . . -55.94 -61.84 2.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.067 -166.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.58 -31.05 71.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.415 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -78.96 -46.83 17.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.194 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.43 -35.94 80.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.5 mttm -65.17 -24.39 67.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -83.29 -39.06 21.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.659 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 m -68.65 -36.71 78.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -64.14 -27.55 69.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.76 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 95.0 mttt -55.83 -42.77 76.24 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.133 0.492 . . . . 0.0 110.77 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -70.9 -35.32 72.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.858 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.8 m -66.07 -54.48 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.928 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.52 -36.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 13.1 tm0? -48.78 -48.63 41.03 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.17 -18.63 79.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.567 -176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -70.05 -57.15 5.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.766 0.317 . . . . 0.0 111.44 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.9 mm? -79.76 -5.7 55.83 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.195 0.521 . . . . 0.0 112.133 -173.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.506 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -41.76 7.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.306 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.2 143.45 3.73 Favored Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.61 -12.66 10.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.516 0.674 . . . . 0.0 109.623 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.29 -21.63 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.529 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.06 25.78 7.73 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.087 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HD21 ' A' ' 82' ' ' LEU . 23.7 t80 -81.23 136.59 35.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.403 0.62 . . . . 0.0 109.758 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -153.74 24.97 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.929 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -69.97 -2.48 12.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 0.0 110.706 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -70.63 -39.75 73.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.542 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -116.53 -58.3 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.938 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.78 96.97 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.86 136.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.017 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 2.2 p -79.6 103.84 9.79 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.894 175.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -71.39 65.28 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.53 0.681 . . . . 0.0 110.955 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.179 179.11 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -51.85 -44.51 63.67 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 123.529 0.518 . . . . 0.0 111.067 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 7.9 pt-20 -58.24 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 1.8 tm-20 -77.86 -45.85 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.941 -178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 31.2 mt -64.82 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.537 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 48' ' ' ILE . 61.6 tp -71.17 -42.46 69.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.15 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.607 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptp180 -67.99 -16.9 64.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.807 -177.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.6 mt-10 -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.133 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 6.1 mtpm? -91.51 -6.5 52.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.408 -177.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.0 mt -90.5 155.8 18.64 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.376 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.8 t -73.5 164.84 26.11 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.37 -27.36 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.118 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.81 -27.83 66.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.424 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 46.0 mt-30 -84.53 -30.84 24.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.2 mttt -61.63 -35.91 79.26 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.899 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -63.02 -40.64 98.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.049 0.452 . . . . 0.0 111.286 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.514 ' CD2' HD12 ' A' ' 59' ' ' LEU . 59.1 m80 -80.43 -17.17 52.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 35.3 tp -65.89 -49.8 66.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.35 -31.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 90.5 t90 -60.65 -43.99 96.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.935 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.99 -32.2 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.13 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.175 0.512 . . . . 0.0 110.234 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.69 -36.91 79.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.77 80.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 37' ' ' PHE . 72.5 mt -73.87 -29.4 62.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.693 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.63 5.61 64.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.54 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -144.2 119.33 10.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.33 -23.0 66.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -72.76 -39.88 54.21 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.275 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.726 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 44.7 mt-10 -79.95 -27.92 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.306 0.574 . . . . 0.0 110.036 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' A' ' 31' ' ' LEU . 33.7 t80 -69.36 -26.15 64.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.47 0.652 . . . . 0.0 109.785 173.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.493 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.4 t70 -61.29 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.313 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 ptmt -56.51 -35.89 68.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.063 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.447 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.3 t80 -69.24 -35.07 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.197 0.522 . . . . 0.0 110.347 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 50.9 mt -73.02 -7.0 49.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.505 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.58 10.48 42.04 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.125 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 13.1 m-85 -89.5 178.22 6.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.905 0.383 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' HG13 ' A' ' 48' ' ' ILE . 15.5 t70 -71.52 141.39 50.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CD ' ' HZ2' ' A' ' 15' ' ' LYS . 2.4 mt-10 -56.14 -38.44 70.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.257 0.348 . . . . 0.0 111.241 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.9 m -67.49 -32.28 72.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.458 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 62.6 mttm -79.58 -40.9 28.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG21 HD21 ' A' ' 12' ' ' LEU . 78.7 mt -59.78 -51.66 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.847 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.51 -39.08 92.37 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.809 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.8 m -61.2 -44.12 97.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.565 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.45 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.38 -53.07 58.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.17 -42.25 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.728 -176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.31 -33.6 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 109.982 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.83 -48.08 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.894 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 51' ' ' ALA . 82.8 mt -53.07 -46.83 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 175.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 15.2 ttpt -57.62 -45.06 85.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.145 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 96' ' ' THR . 53.4 mm-40 -65.59 -46.54 79.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD12 ' CD2' ' A' ' 23' ' ' HIS . 48.4 mt -64.2 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.59 0.233 . . . . 0.0 111.506 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.92 -22.55 66.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.38 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -74.8 -17.11 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 1.2 m -117.91 93.61 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.572 . . . . 0.0 111.779 -175.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -126.26 93.92 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.771 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.6 -170.98 44.15 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.746 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -73.68 -55.54 6.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.432 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.16 -28.68 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.504 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -62.73 -27.02 68.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.536 -177.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.69 -44.08 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.371 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.95 -39.44 93.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.393 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -61.13 -43.64 98.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.45 -36.37 76.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.6 m -66.24 -37.79 86.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.495 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -69.94 -31.52 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 78' ' ' VAL . 30.3 t80 -64.33 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.257 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.83 -38.43 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 79' ' ' GLN . 45.2 mt-30 -77.93 -28.71 49.71 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.636 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -65.01 -47.44 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.754 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 74' ' ' PHE . 82.7 t -62.15 -35.07 66.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.25 174.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 5.1 mm-40 -56.09 -36.75 68.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.305 174.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.09 -0.05 88.9 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.381 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.547 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -94.69 -65.65 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.577 0.227 . . . . 0.0 111.524 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 82' ' ' LEU . 2.1 mm? -75.85 -1.78 26.93 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -75.95 -38.08 57.94 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.564 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.42 -38.69 7.58 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.07 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.64 152.85 7.05 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.973 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.06 -20.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.044 0.45 . . . . 0.0 110.564 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.89 -10.35 59.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.0 109.863 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.11 10.59 43.92 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.387 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CE2' HD21 ' A' ' 82' ' ' LEU . 21.4 t80 -81.46 120.58 25.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 -161.96 25.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.212 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 95' ' ' VAL . 26.7 p -73.78 -2.84 25.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 111.516 -177.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.21 -36.82 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.518 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -121.21 -13.34 8.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.02 104.74 5.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 111.338 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 91' ' ' SER . 3.2 m -146.09 153.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.546 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.729 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 18.6 p -101.27 113.35 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 110.487 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 p -76.9 53.44 0.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.467 0.651 . . . . 0.0 111.069 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' CYS . . . . . 0.729 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 63.3 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.841 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 13.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.61 -39.4 73.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 10' ' ' GLU . 4.5 pm0 -64.03 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.212 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 35.3 mt-10 -72.0 -28.96 63.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 120.699 0.285 . . . . 0.0 110.805 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 56.8 mt -76.09 -38.44 56.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 175.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 48' ' ' ILE . 65.7 tp -68.65 -41.19 79.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.172 -178.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.548 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.6 -16.37 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.504 -177.279 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.4 mt-10 -72.35 -29.83 64.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -98.22 2.95 48.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.931 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 57.7 mt -96.85 172.41 7.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.617 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.4 m -80.84 170.9 15.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.458 173.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.94 -36.9 85.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.309 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 -48.23 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.769 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm100 -58.38 -32.76 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.585 -177.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.4 mttt -58.18 -41.47 83.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.106 0.479 . . . . 0.0 111.034 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -71.92 -40.46 68.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.777 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 39.4 m80 -70.3 -28.34 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.15 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -51.96 65.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.279 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 22.7 t70 -70.23 -30.58 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.171 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -56.65 -46.98 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 174.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD13 HG11 ' A' ' 78' ' ' VAL . 43.5 tp -62.71 -36.43 82.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.516 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 35.4 ttmt -58.41 -47.33 84.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.159 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 37.0 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.686 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.91 91.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.865 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.38 -45.65 30.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.57 12.55 83.66 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.258 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -139.05 124.18 19.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 5.0 p-10 -64.79 -36.04 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.66 -42.54 93.27 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 113.042 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -71.62 -39.26 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 110.446 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -69.7 -29.69 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.874 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 15.8 t70 -57.39 -44.47 84.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.878 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -38.39 77.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.024 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.34 -38.04 86.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.546 . . . . 0.0 110.33 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.88 -9.07 57.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.095 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.75 21.63 45.0 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.189 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.94 -177.07 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.269 0.556 . . . . 0.0 111.649 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 50.5 t0 -73.54 129.49 38.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.134 174.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.72 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 5.3 mt-10 -56.19 -34.9 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.093 0.246 . . . . 0.0 110.728 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -59.85 -36.09 76.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.441 0.638 . . . . 0.0 109.865 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 39.2 mttp -81.82 -35.23 29.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.971 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.581 HG21 HD21 ' A' ' 12' ' ' LEU . 80.3 mt -63.63 -47.03 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.733 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 27.9 mmtt -57.86 -44.77 86.8 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.1 m -62.66 -46.34 88.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.948 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.24 78.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.64 -42.06 99.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.193 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -22.83 55.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -73.86 -42.84 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.2 mt -53.98 -51.57 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 68.4 tttt -53.22 -39.77 64.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.822 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 48.0 t -65.27 -54.71 25.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.173 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.605 ' HB3' HG23 ' A' ' 96' ' ' THR . 72.7 mm-40 -64.28 -37.83 88.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.77 -24.93 66.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.114 -0.366 . . . . 0.0 111.075 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 57' ' ' SER . 15.1 t70 -70.59 -27.51 64.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.692 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HE2' ' N ' ' A' ' 61' ' ' LYS . 8.8 mmpt? -69.5 -31.27 69.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 52.5 m -95.99 100.37 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.164 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -144.45 105.05 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 0.0 109.376 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.13 -153.63 24.48 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.902 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.47 -53.04 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.09 14.58 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.409 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.24 -50.0 69.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -170.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 13.3 t70 -59.99 -39.05 84.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 -173.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.95 -36.72 72.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.23 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.15 -36.92 84.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 110.22 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 63.2 mttm -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.805 174.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -68.35 -37.22 80.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.523 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 m -67.28 -33.61 75.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.632 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 t80 -63.02 -27.38 69.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.677 -177.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.548 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 95.0 mttt -54.13 -43.27 70.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.765 175.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -72.13 -30.19 64.79 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.992 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 94' ' ' ALA . 45.7 m -68.61 -45.36 72.13 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.315 176.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG11 HD13 ' A' ' 27' ' ' LEU . 59.5 t -64.27 -33.05 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.879 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.9 mt-30 -53.39 -44.89 69.04 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-O 121.348 0.594 . . . . 0.0 110.258 174.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.47 27.04 16.93 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.441 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.38 -47.61 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.71 0.291 . . . . 0.0 110.938 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.551 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.9 mm? -80.19 10.25 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.84 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 t -87.9 -32.59 18.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.839 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.05 78.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.284 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.28 7.94 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -74.94 -19.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 109.829 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.25 -41.79 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.15 5.0 81.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.202 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.435 ' CE1' HD21 ' A' ' 82' ' ' LEU . 28.6 t80 -70.65 121.21 17.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.25 -145.02 8.82 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.28 2.92 16.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.49 0.662 . . . . 0.0 109.956 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.23 -38.74 55.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.409 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.48 -62.7 1.53 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.673 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -82.79 99.8 9.9 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.08 -170.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.48 141.28 41.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 58' ' ' GLU . 12.1 p -85.71 116.62 24.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.194 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.8 p -61.95 0.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.694 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.047 0.451 . . . . 0.0 109.835 173.577 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.413 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 42.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.65 -33.04 69.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' HA ' HD22 ' A' ' 41' ' ' LEU . 9.7 pt-20 -61.65 -35.18 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 177.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 12.9 tp10 -72.34 -42.54 65.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.943 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.02 -34.25 74.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.677 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.691 HD21 HG21 ' A' ' 48' ' ' ILE . 60.4 tp -73.32 -43.53 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.474 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.8 ptm180 -63.74 -18.8 64.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.508 -175.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 30.3 mt-10 -64.75 -39.35 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HE3' HD12 ' A' ' 12' ' ' LEU . 39.0 mtmt -85.93 -5.66 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.282 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 13' ' ' ARG . 86.0 mt -93.86 158.05 15.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.207 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.3 p -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.075 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.07 -37.47 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -172.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.54 -41.48 79.78 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.219 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 96.2 mt-30 -70.14 -33.92 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.037 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.1 mttt -60.66 -40.12 90.85 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.278 0.561 . . . . 0.0 110.219 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -67.16 -47.24 71.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 53.9 m80 -72.89 -18.91 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.051 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.2 tm? -63.48 -50.16 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.1 t70 -64.94 -38.7 91.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.465 ' CZ3' HG21 ' A' ' 78' ' ' VAL . 81.1 t90 -59.88 -44.14 94.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.773 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 27' ' ' LEU . 2.3 tt -66.61 -29.16 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 24.1 ttmm -55.19 -47.75 74.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.951 173.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.61 -31.13 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.64 -51.65 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.238 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.05 -29.59 31.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.37 -58.75 3.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.345 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -70.39 123.41 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.452 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.85 -30.59 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.193 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.49 -43.72 96.24 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.998 -0.547 . . . . 0.0 113.101 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 73.7 mm-40 -72.46 -35.66 68.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.054 0.454 . . . . 0.0 111.004 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 60.8 t80 -71.49 -33.82 69.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.677 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 12.6 t70 -55.04 -44.86 75.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.251 172.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 36.3 ttmt -54.01 -44.78 71.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.303 177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 91.9 t80 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.124 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 39.8 mt -71.38 -12.79 61.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.704 -175.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.81 31.05 7.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.652 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 10.3 m-85 -103.21 -178.92 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 111.895 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 47' ' ' LYS . 21.3 t70 -58.56 129.73 43.48 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.924 176.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.38 -39.46 64.24 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -76.38 -31.92 58.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.552 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' HG3' ' OD1' ' A' ' 44' ' ' ASP . 56.1 mttm -74.97 -38.6 61.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.691 HG21 HD21 ' A' ' 12' ' ' LEU . 65.6 mt -59.36 -52.93 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.839 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.8 -44.49 77.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -61.55 -44.97 96.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.096 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.23 -48.17 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.48 -40.1 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.601 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.71 -37.99 79.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.383 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.08 -44.11 91.86 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.111 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.2 mt -53.54 -48.98 57.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.579 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 56' ' ' LYS . 8.0 ttpm? -58.33 -40.82 83.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 m -61.85 -52.89 62.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.279 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.0 mm-40 -65.7 -51.13 61.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.31 -24.19 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.743 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.6 -35.8 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.748 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.63 -27.11 67.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.558 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 23.2 m -91.85 97.75 11.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -145.4 108.84 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.851 0.834 . . . . 0.0 110.016 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.16 -153.43 23.95 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.39 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.37 -33.5 75.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.6 p-10 -89.95 -6.93 55.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.633 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.742 -169.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -59.15 -32.93 70.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.26 0.552 . . . . 0.0 111.079 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -86.59 -40.78 14.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.826 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 13.7 mm100 -63.72 -42.62 97.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.67 -31.39 72.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.954 0.407 . . . . 0.0 110.687 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 74.7 m -77.97 -36.07 49.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.662 177.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -74.75 -27.0 60.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 0.0 111.092 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.437 ' HE2' HG23 ' A' ' 55' ' ' ILE . 20.8 t80 -64.6 -27.0 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.943 0.401 . . . . 0.0 110.08 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.595 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 90.5 mttt -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 24.2 mt-30 -73.28 -25.87 60.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.872 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.2 m -69.1 -45.52 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.846 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG21 ' CZ3' ' A' ' 26' ' ' TRP . 73.7 t -60.99 -25.28 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.122 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 18.5 mm-40 -56.36 -42.56 77.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.394 175.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.9 10.24 73.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.333 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -100.73 -62.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.6 mm? -76.45 -0.63 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 112.12 -174.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -85.07 -16.48 40.5 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.977 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.69 10.65 25.63 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.31 141.21 10.24 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 tt -76.01 -21.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.302 0.572 . . . . 0.0 110.199 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.9 -29.07 70.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.478 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.79 10.93 59.12 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.427 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.528 ' CE2' HD21 ' A' ' 82' ' ' LEU . 17.2 t80 -77.01 119.16 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.07 -155.83 18.98 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.5 p -74.94 9.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.974 0.416 . . . . 0.0 111.29 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -95.43 -10.91 28.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.478 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 31.4 p-10 -151.28 -31.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.657 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.54 99.64 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 0.0 110.656 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 149.81 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.965 0.412 . . . . 0.0 111.793 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.551 HG23 ' HB3' ' A' ' 58' ' ' GLU . 13.3 p -94.51 113.99 25.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.462 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 p -83.32 43.11 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.487 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.69 151.21 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 111.17 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -119.98 154.07 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.284 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.17 -147.17 17.8 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.653 -176.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -87.26 -171.15 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.978 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.531 ' HB2' ' CB ' ' A' ' 10' ' ' GLU . 58.4 pttt -63.55 137.37 58.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.681 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m -107.87 -168.16 1.34 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.877 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' HD13 ' A' ' 41' ' ' LEU . 65.1 mttm -52.76 -37.56 59.68 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.637 0.256 . . . . 0.0 111.114 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 14.8 pt-20 -60.5 -30.19 69.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.531 ' CB ' ' HB2' ' A' ' 6' ' ' LYS . 76.0 mm-40 -86.9 -33.17 19.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.336 0.589 . . . . 0.0 111.065 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -77.65 -30.45 52.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.608 HD21 HG21 ' A' ' 48' ' ' ILE . 65.8 tp -82.9 -25.94 31.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 27.7 ttt180 -54.0 -48.56 70.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.08 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -57.99 -40.4 80.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.542 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.517 ' HE3' HD12 ' A' ' 12' ' ' LEU . 38.0 mtmt -80.18 -19.29 47.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.911 0.386 . . . . 0.0 111.661 -175.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 78.0 mt -84.63 166.4 17.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.331 0.586 . . . . 0.0 110.755 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -79.66 166.73 21.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.705 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.665 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.12 -56.04 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.606 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 90.7 mt-30 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.962 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.05 -43.02 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.124 0.487 . . . . 0.0 110.551 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 m -64.94 -39.91 94.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.899 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -78.06 -18.73 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.427 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 16' ' ' LEU . 16.4 mt -63.12 -48.75 77.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 171.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 32.2 t70 -63.12 -43.34 98.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.172 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -57.52 -47.98 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.77 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 31' ' ' LEU . 58.9 tp -64.98 -39.82 94.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.143 0.496 . . . . 0.0 110.233 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -61.22 -46.95 88.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.995 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 61.9 mt-10 -53.9 -45.1 71.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.957 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -60.52 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 27' ' ' LEU . 10.1 mp -64.23 -37.29 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.913 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.88 4.0 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.749 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.1 137.7 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.219 0.533 . . . . 0.0 111.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.03 -36.4 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.51 90.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.78 -43.35 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.948 0.404 . . . . 0.0 110.449 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.4 t80 -67.37 -30.91 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.422 ' HA ' HD12 ' A' ' 41' ' ' LEU . 22.1 t70 -58.71 -42.7 89.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.411 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.02 -40.84 74.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.036 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 82.2 t80 -66.72 -39.1 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 62.2 mt -67.05 -21.43 65.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.22 10.01 74.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.008 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 26.9 m-85 -90.57 175.31 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.012 0.434 . . . . 0.0 111.808 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.31 135.22 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.508 175.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.34 -35.85 72.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.933 0.397 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 m -64.2 -25.04 67.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.524 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.12 -41.65 10.36 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.421 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.608 HG21 HD21 ' A' ' 12' ' ' LEU . 77.8 mt -57.55 -51.92 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.635 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.54 -41.41 94.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 m -68.45 -38.95 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.64 -48.93 79.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.369 . . . . 0.0 110.401 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.49 -40.86 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.61 -37.78 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.7 -46.92 80.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.502 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.5 mt -54.99 -44.93 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -58.41 -41.1 84.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.0 176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 m -61.33 -51.63 68.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.59 ' HB3' HG23 ' A' ' 96' ' ' THR . 69.5 mm-40 -63.85 -40.67 97.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.358 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.86 -33.09 75.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.728 0.299 . . . . 0.0 111.033 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.82 -24.35 61.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.199 0.523 . . . . 0.0 110.283 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 54.7 mtpt -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.194 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 67' ' ' ALA . 5.2 t -129.41 94.93 3.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -141.72 101.0 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -172.52 -142.79 3.9 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -174.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -79.25 -47.93 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.902 0.351 . . . . 0.0 111.373 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -100.98 15.91 27.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.713 0.292 . . . . 0.0 111.363 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.666 ' HA ' ' SG ' ' A' ' 62' ' ' CYS . . . -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.52 -41.0 65.89 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.329 0.585 . . . . 0.0 111.013 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.85 -48.03 48.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.177 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.23 -33.85 76.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.287 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 67.0 mttm -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.056 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 79.0 m -78.19 -41.35 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.795 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -65.59 -34.2 77.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.382 . . . . 0.0 110.962 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 78' ' ' VAL . 11.2 t80 -60.36 -30.07 69.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.61 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' THR . 90.1 mttt -55.25 -43.58 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -68.63 -37.53 79.79 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.3 m -65.25 -44.17 88.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.301 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 74' ' ' PHE . 96.6 t -66.29 -36.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.421 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.46 -45.55 80.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.902 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.66 4.82 80.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.2 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.28 -36.61 8.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.982 0.42 . . . . 0.0 110.322 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.0 mt -91.56 5.45 49.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.905 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.1 p -69.81 -27.96 65.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.284 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.03 6.93 25.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.85 166.08 10.85 Favored Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.165 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.1 tt -103.98 -1.52 9.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.728 0.775 . . . . 0.0 109.473 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -72.3 -42.98 64.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.414 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.3 28.3 16.51 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.03 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -87.83 119.89 28.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.83 -154.03 14.39 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.157 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 m -71.99 5.32 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.838 -176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -100.94 -5.98 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -147.52 -33.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.668 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.9 107.57 16.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -143.43 149.2 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 58' ' ' GLU . 17.1 p -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.751 172.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 p -73.22 26.69 0.06 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 96' ' ' THR . 7.1 t -82.78 -46.95 12.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.16 0.58 33.3 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.71 23.79 8.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.149 -0.526 . . . . 0.0 109.733 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.84 136.25 38.24 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.556 -175.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.986 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.316 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.619 -0.593 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.52 109.15 20.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.332 . . . . 0.0 110.665 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -100.8 -179.95 4.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.072 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.48 -165.54 12.54 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.729 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.18 160.37 32.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.919 2.413 . . . . 0.0 112.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -69.34 156.13 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.396 177.302 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -127.13 178.32 6.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.819 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.0 -46.36 88.36 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 109.993 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.602 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -58.36 -40.18 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.902 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.48 -26.73 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.796 0.331 . . . . 0.0 111.41 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 79.5 mt -87.75 -50.61 6.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.261 0.553 . . . . 0.0 110.451 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.9 tp -73.76 -24.05 59.82 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.593 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.1 ptm180 -59.43 -38.61 81.1 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.255 0.55 . . . . 0.0 109.776 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 13.6 mm-40 -72.36 -20.85 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.772 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HB2' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.34 2.69 39.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 177.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 51.1 mt -107.47 -175.78 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 77.6 p -80.43 167.08 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -65.54 -35.78 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.419 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -77.45 -35.02 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.438 HE22 ' HB3' ' A' ' 49' ' ' LYS . 39.5 mt-30 -57.03 -28.37 62.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.945 0.403 . . . . 0.0 110.71 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.1 mttt -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 m -73.92 -41.4 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 0.0 110.234 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.5 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.9 m80 -76.19 -18.73 58.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 9' ' ' GLU . 2.7 tm? -61.88 -55.25 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.1 -39.49 86.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 89.6 t90 -59.09 -47.25 85.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 30' ' ' ALA . 45.1 tp -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.3 ttmm -60.97 -42.88 99.17 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -69.27 -37.6 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.57 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.9 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.463 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.26 -33.52 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.33 -60.2 3.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.27 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -73.04 117.22 14.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.18 -28.31 69.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.37 93.17 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.297 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.38 -26.45 23.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.39 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' O ' HD23 ' A' ' 41' ' ' LEU . 35.2 t80 -66.05 -38.59 88.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -46.75 -45.22 19.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.973 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -58.18 -28.29 64.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.892 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 86.2 t80 -75.1 -44.91 44.65 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.9 mm? -63.15 -23.85 67.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.653 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.99 27.92 9.43 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.014 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 18.7 m-85 -100.0 -174.29 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.239 0.52 . . . . 0.0 110.96 174.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 48' ' ' ILE . 6.9 t70 -72.26 135.7 46.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 1.9 mt-10 -61.08 -33.06 72.74 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.018 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -69.24 -29.14 67.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.0 109.868 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.34 -30.94 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 44' ' ' ASP . 92.1 mt -62.62 -54.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HB3' HE22 ' A' ' 20' ' ' GLN . 17.8 mttp -59.9 -40.19 87.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.77 -0.195 . . . . 0.0 111.171 177.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.7 m -61.69 -44.16 97.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.581 0.229 . . . . 0.0 111.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.23 -50.37 74.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.44 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.82 -40.74 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.221 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.08 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.765 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.78 -46.47 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.187 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.0 mt -54.33 -47.17 69.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.78 174.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -56.1 -44.78 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.001 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.8 m -61.11 -47.79 84.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -73.0 -47.75 42.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 111.201 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' HD2' ' A' ' 74' ' ' PHE . 14.0 tp -65.95 -20.38 66.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.574 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.86 -21.96 50.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -66.48 -34.89 78.94 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 24.4 m -80.92 110.05 16.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 -175.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -138.07 100.49 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.05 -167.62 38.47 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.539 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -76.33 -44.07 38.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.163 0.506 . . . . 0.0 110.235 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.77 -18.74 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.492 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -60.01 -25.96 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.724 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.88 -38.39 85.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.399 0.618 . . . . 0.0 110.078 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.44 -30.33 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.46 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.71 -45.73 92.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.981 0.42 . . . . 0.0 110.167 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 97.4 mttt -67.54 -20.32 65.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.975 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.451 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 90.3 m -86.39 -33.34 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.364 176.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.9 m -72.68 -35.06 67.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' HD2' HD13 ' A' ' 59' ' ' LEU . 17.9 t80 -61.18 -28.42 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.207 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 91.7 mttt -58.35 -38.04 76.39 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.643 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -72.47 -31.98 65.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.697 -177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.2 m -64.24 -44.4 91.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.97 -29.45 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.255 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.3 mt-30 -53.39 -51.6 62.0 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.51 -24.41 60.79 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.015 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.03 -49.78 54.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.595 0.236 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.53 -0.93 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 111.376 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -89.69 -14.89 33.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.835 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.51 10.96 56.52 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.552 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.32 144.3 10.98 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.567 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -84.61 -9.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.443 0.639 . . . . 0.0 110.322 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.66 -40.75 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.716 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.73 15.42 62.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.288 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -75.66 117.8 17.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.457 . . . . 0.0 109.803 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.53 -162.2 24.29 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.1 m -71.38 -6.07 37.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 111.371 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -75.09 -30.33 60.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.44 0.638 . . . . 0.0 109.345 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.51 -55.66 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.161 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.13 116.32 28.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.477 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.46 149.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.974 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.471 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 4.8 p -92.25 109.44 20.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.22 0.533 . . . . 0.0 111.18 174.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 p -82.05 60.96 5.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 60.8 m -110.49 -5.1 15.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.756 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.24 125.99 5.65 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -74.0 121.59 21.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.358 0.599 . . . . 0.0 111.177 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.13 -55.12 1.89 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.179 176.042 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.63 124.0 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.99 0.424 . . . . 0.0 111.06 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 mmt -95.47 90.7 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.694 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -164.41 12.05 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.118 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -86.12 -165.9 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.344 2.696 . . . . 0.0 111.894 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.537 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.1 pttt -62.72 123.97 19.8 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.383 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.6 m -115.89 -163.14 0.87 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.148 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -43.28 -50.68 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.335 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.73 -26.48 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.742 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 9.7 mp0 -69.24 -45.73 69.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.022 0.439 . . . . 0.0 110.16 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.2 -36.55 84.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.401 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.5 tp -76.77 -36.82 56.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.835 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HA ' HD12 ' A' ' 16' ' ' LEU . 6.1 ptp180 -68.69 -18.68 64.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.082 -174.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.49 -28.03 68.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -86.95 1.59 52.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.369 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.603 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 76.8 mt -116.26 158.2 23.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.475 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.2 m -77.2 174.22 10.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.283 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 43.2 mt-10 -58.99 -36.81 75.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 110.228 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -66.27 -52.12 50.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.836 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.603 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 47.3 mt-30 -67.03 -27.19 67.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.324 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 18' ' ' GLU . 61.9 mttm -60.67 -38.67 85.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 110.071 174.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -80.64 -39.89 26.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.978 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -66.59 -26.62 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.88 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.94 -44.84 91.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.205 0.526 . . . . 0.0 109.827 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.83 -39.34 83.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.941 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.51 -41.39 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.739 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -58.54 -49.09 78.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.92 -33.59 76.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.355 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.44 60.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.547 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 93.2 mt -68.08 -49.02 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.712 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.36 36.27 91.4 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.327 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 45.8 t-20 -150.27 130.25 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -56.93 -54.67 43.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.88 94.41 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.599 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 33' ' ' ASN . 53.4 mt-10 -70.88 -38.33 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.033 0.417 . . . . 0.0 111.363 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 38.9 t80 -72.1 -37.2 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 109.805 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 41' ' ' LEU . 28.1 t70 -57.55 -42.92 83.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.653 176.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 18.4 tptp -60.27 -33.08 71.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.437 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.733 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 74.3 t80 -71.68 -39.02 70.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 110.17 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 53.0 mt -64.99 -17.17 64.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.945 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.37 24.51 22.34 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.567 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.733 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 4.0 m-85 -89.28 -176.94 5.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.541 ' O ' HG13 ' A' ' 48' ' ' ILE . 8.8 t0 -67.94 130.14 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.216 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.54 -35.56 63.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.281 0.363 . . . . 0.0 111.446 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.415 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 2.4 m -67.82 -40.38 83.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.89 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 62.5 mttp -74.25 -36.5 63.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 44' ' ' ASP . 74.2 mt -56.64 -57.44 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.277 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 m -60.97 -45.69 93.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.68 75.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.21 -41.16 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.642 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 39.0 t70 -70.93 -34.35 71.42 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.651 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.42 -49.8 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.72 -49.74 55.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.11 173.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 24.5 tttm -53.94 -42.92 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.514 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 51.7 m -68.57 -51.5 42.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.347 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.1 mm-40 -61.65 -51.64 67.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 111.392 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 74' ' ' PHE . 38.9 tp -59.45 -29.98 68.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.134 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 57' ' ' SER . 99.6 mttt -59.56 -36.78 76.84 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.106 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 16.3 m -85.7 101.17 12.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.371 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -146.18 111.27 5.33 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.714 0.769 . . . . 0.0 109.288 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . 170.21 -163.28 36.59 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.857 -176.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -74.79 -18.34 60.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.262 0.531 . . . . 0.0 111.252 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.71 11.15 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.977 0.417 . . . . 0.0 110.817 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -64.89 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.75 -44.86 66.75 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.302 0.572 . . . . 0.0 111.067 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -68.53 -53.56 22.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.352 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.87 -37.26 83.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.441 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.59 -38.74 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.928 0.394 . . . . 0.0 110.449 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.557 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 95.9 m -72.66 -38.57 67.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -65.78 -31.66 72.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.23 0.538 . . . . 0.0 110.381 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -66.33 -34.0 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.457 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 73.0 mttt -56.41 -45.59 80.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 173.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -66.62 -35.65 80.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.281 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.9 m -62.72 -52.34 63.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.822 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 74' ' ' PHE . 39.8 t -63.59 -35.17 71.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.6 tm0? -51.86 -54.06 33.47 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.846 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.89 -27.75 68.23 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.698 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -50.35 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.91 -4.6 47.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.3 m -82.36 -15.8 51.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.935 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.75 4.23 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.404 174.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.94 137.01 2.93 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 89' ' ' PHE . 16.6 tt -71.74 -15.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.278 0.561 . . . . 0.0 110.848 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.14 -35.51 77.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.734 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.78 14.9 34.66 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.247 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 86' ' ' ILE . 50.9 t80 -72.71 125.28 27.13 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.35 -157.14 28.81 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -69.93 3.61 2.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.362 0.581 . . . . 0.0 111.201 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.71 -38.56 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.037 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -126.74 -29.14 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.86 113.04 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.02 146.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.046 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 58' ' ' GLU . 2.1 p -82.53 103.09 11.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.278 0.561 . . . . 0.0 111.097 174.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 p -73.27 73.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.973 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.7 m -122.82 89.02 3.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.507 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.5 -66.18 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -134.05 91.01 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.34 -49.04 2.23 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.014 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.17 145.52 2.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.0 ttt -84.51 -13.73 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 0.0 109.878 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.83 -162.18 12.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.341 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.07 160.17 50.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.584 2.19 . . . . 0.0 111.131 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.759 ' HE3' ' HG3' ' A' ' 10' ' ' GLU . 16.3 ptmt -68.94 142.48 54.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.61 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 t -92.55 -179.65 5.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.162 -170.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' A' ' 41' ' ' LEU . 60.4 mtpt -57.43 -38.99 75.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.68 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' HB2' HD11 ' A' ' 24' ' ' LEU . 13.3 pt-20 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 0.0 110.504 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.759 ' HG3' ' HE3' ' A' ' 6' ' ' LYS . 20.5 tp10 -79.35 -36.36 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.089 -177.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD23 ' HE2' ' A' ' 6' ' ' LYS . 94.2 mt -69.26 -46.42 67.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.998 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 48' ' ' ILE . 54.5 tp -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.979 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 9.3 ptm180 -63.83 -23.1 67.22 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.437 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.41 -26.92 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.78 -15.35 39.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.552 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 68.2 mt -92.59 169.52 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.327 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 32.0 t -82.25 175.49 10.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.47 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.14 -32.81 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.889 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.08 -43.56 52.44 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.495 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -57.04 -34.73 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.061 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.636 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.3 mttt -62.29 -33.79 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.693 0.282 . . . . 0.0 111.261 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -66.68 -43.1 85.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.51 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 92.7 m-70 -77.95 -22.15 49.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.766 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.3 tm? -59.36 -53.24 60.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 t70 -67.11 -39.95 86.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.51 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 84.4 t90 -54.15 -48.17 71.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD23 ' HG ' ' A' ' 31' ' ' LEU . 2.1 tt -63.1 -36.33 83.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.299 -176.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.47 -52.57 63.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.596 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 4.6 mm-40 -64.51 -28.85 69.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.915 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.1 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.999 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.526 ' HG ' HD23 ' A' ' 27' ' ' LEU . 67.2 mt -70.03 -32.08 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.614 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.72 40.46 96.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.324 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -156.62 179.46 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.024 0.44 . . . . 0.0 110.896 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -105.04 -43.38 5.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.752 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.46 -56.05 19.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.569 -0.741 . . . . 0.0 114.181 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -41.14 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.738 0.769 . . . . 0.0 111.578 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 62.8 t80 -73.14 -27.95 61.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.403 . . . . 0.0 110.013 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.576 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 11.2 t70 -55.56 -50.07 71.01 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.268 0.556 . . . . 0.0 110.424 171.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.18 -41.06 87.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.639 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.27 -38.99 85.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.416 . . . . 0.0 110.511 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . 78.3 mt -74.17 -13.84 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.052 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.36 48.74 0.91 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.377 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -123.24 -170.33 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.086 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.87 134.63 40.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.863 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.96 -35.76 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -69.79 -28.41 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -86.73 -34.63 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.633 HG21 HD21 ' A' ' 12' ' ' LEU . 95.6 mt -66.03 -51.3 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.599 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.56 -35.83 82.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -64.65 -44.53 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.44 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.62 90.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.79 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.8 -48.74 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.644 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.3 -31.73 72.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 110.593 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -68.0 -50.74 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.233 175.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 74' ' ' PHE . 57.6 mt -53.44 -47.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.521 0.677 . . . . 0.0 109.95 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' HB2' ' CD2' ' A' ' 23' ' ' HIS . 48.7 tttt -53.17 -48.95 67.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.393 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 55.1 m -59.07 -47.05 86.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.556 ' HB3' HG23 ' A' ' 96' ' ' THR . 58.5 mm-40 -63.64 -47.43 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.53 -32.57 70.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.97 -18.69 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.507 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' SER . 97.3 mttt -71.63 -40.82 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 0.0 110.106 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.1 m -92.61 75.07 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.757 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -122.21 86.17 2.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.858 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.595 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -149.99 -149.19 4.95 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.666 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.57 -55.4 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.759 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.86 41.37 1.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.716 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -58.91 -45.0 91.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.33 -42.64 91.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.689 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -59.75 -44.53 93.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.756 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -70.56 -43.61 69.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.682 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.716 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.0 mttm -60.83 -37.97 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.546 ' HA ' ' CD ' ' A' ' 75' ' ' LYS . 51.7 m -71.01 -35.8 72.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.509 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m -67.1 -31.62 72.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.45 0.643 . . . . 0.0 109.633 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.415 ' HE1' HG23 ' A' ' 55' ' ' ILE . 7.6 t80 -69.58 -28.92 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.416 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' CD ' ' HA ' ' A' ' 72' ' ' THR . 85.8 mttt -58.89 -43.65 91.03 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.265 0.555 . . . . 0.0 109.892 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -24.69 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.245 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 m -70.88 -50.24 37.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.519 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.33 -33.2 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.8 -52.98 45.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.118 0.485 . . . . 0.0 111.055 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.16 -22.51 65.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.063 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.71 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 0.0 111.273 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.44 -5.01 53.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.196 0.522 . . . . 0.0 111.395 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -74.2 -24.33 59.34 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.79 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.24 5.22 52.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.044 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.28 147.73 13.08 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.725 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -81.7 -6.65 10.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.595 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.42 -36.44 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.854 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.83 15.32 62.84 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.657 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.16 144.4 33.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.294 0.569 . . . . 0.0 109.761 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.96 -152.02 24.17 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.604 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p -69.11 1.61 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.001 0.429 . . . . 0.0 112.093 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.94 -45.57 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.391 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -122.25 -12.71 8.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.84 102.37 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.007 0.432 . . . . 0.0 111.011 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.43 148.22 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.978 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.648 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 4.0 p -93.58 111.75 23.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.142 0.496 . . . . 0.0 110.779 172.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.412 HG22 ' HA3' ' A' ' 101' ' ' GLY . 16.9 p -80.41 50.66 1.31 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.628 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.648 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 28.4 m -61.33 -38.6 87.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.789 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.24 -66.83 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -114.21 129.57 56.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.57 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.412 ' HA3' HG22 ' A' ' 97' ' ' THR . . . -156.22 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.954 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.763 178.534 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 112.104 -0.398 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.0 -49.84 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.427 ' O ' ' HG3' ' A' ' 3' ' ' MET . 24.0 ptt? -142.02 111.66 6.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.003 172.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.65 -141.88 6.79 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.388 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.89 175.78 6.51 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.693 2.262 . . . . 0.0 111.89 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HA ' ' HG3' ' A' ' 10' ' ' GLU . 24.6 pttm -68.37 123.91 22.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 p -110.23 -168.51 1.33 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.35 -39.75 61.1 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.365 0.416 . . . . 0.0 111.085 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 11.4 pt-20 -57.36 -44.12 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 22.9 mm-40 -68.02 -51.2 49.72 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.7 -33.3 72.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.641 HD21 HG21 ' A' ' 48' ' ' ILE . 55.1 tp -83.08 -39.77 20.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.31 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 39.2 ptt180 -72.76 -7.05 48.73 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.831 -173.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 44.5 mt-10 -62.39 -37.53 86.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.266 0.555 . . . . 0.0 109.578 168.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -89.3 -14.47 35.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.786 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.1 156.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 9.2 m -78.56 168.94 19.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.976 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.79 -36.11 81.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.302 0.572 . . . . 0.0 110.201 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.533 ' OD1' ' HB2' ' A' ' 17' ' ' SER . 5.6 p-10 -66.01 -37.86 86.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.07 -37.73 72.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 98.9 mttt -60.2 -35.29 75.07 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -62.91 -45.93 90.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -82.73 -17.43 44.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.558 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.49 -47.5 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 28.2 t70 -62.53 -39.92 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.216 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -43.16 87.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.1 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.36 -33.24 75.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 23.4 ttmm -58.48 -45.22 89.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 109.746 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.28 -38.25 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.523 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -61.36 -47.57 85.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.56 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 37' ' ' PHE . 86.6 mt -78.09 -27.63 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.111 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.46 -64.06 3.59 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.112 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.69 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 27.7 t30 -72.74 115.04 11.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.5 -30.4 67.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.269 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.22 -45.98 94.07 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.644 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.69 ' HG2' ' HB3' ' A' ' 33' ' ' ASN . 8.6 pt-20 -82.0 -17.37 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.308 -0.524 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.55 ' HA ' HD12 ' A' ' 31' ' ' LEU . 35.7 t80 -69.95 -40.82 75.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 171.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -50.38 -41.7 52.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.072 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -48.68 -43.95 37.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.208 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' HG23 ' A' ' 48' ' ' ILE . 91.4 t80 -55.66 -44.68 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' N ' HD22 ' A' ' 41' ' ' LEU . 2.5 mm? -65.79 -23.88 66.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.664 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.52 40.41 3.07 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.942 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -125.79 -174.97 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.723 0.297 . . . . 0.0 110.841 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 48' ' ' ILE . 10.6 t70 -74.9 139.82 43.36 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.065 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.74 -36.74 65.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.364 0.415 . . . . 0.0 110.978 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 m -63.06 -39.31 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD3' HG23 ' A' ' 86' ' ' ILE . 61.3 mttp -78.32 -40.11 37.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.168 0.509 . . . . 0.0 109.999 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.641 HG21 HD21 ' A' ' 12' ' ' LEU . 79.4 mt -62.36 -52.86 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.923 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.14 -34.02 77.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.95 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -67.35 -41.47 85.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.606 0.241 . . . . 0.0 110.446 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.13 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.78 -44.75 95.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.245 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.23 -30.76 69.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.001 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -65.51 -48.36 72.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.465 HG23 ' HE1' ' A' ' 74' ' ' PHE . 89.3 mt -52.86 -44.95 49.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.316 0.579 . . . . 0.0 109.852 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.69 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.218 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -63.44 -34.69 78.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.301 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.571 ' HB3' HG23 ' A' ' 96' ' ' THR . 76.0 mm-40 -68.29 -52.9 28.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.964 0.412 . . . . 0.0 110.402 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -61.77 -18.04 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 111.207 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.91 -22.8 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.78 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -80.14 -29.78 38.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.419 0.628 . . . . 0.0 110.308 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 76.6 m -86.84 94.1 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.56 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -133.61 96.55 3.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.76 -138.51 7.18 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 119.583 -1.294 . . . . 0.0 114.403 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.571 ' ND2' ' H ' ' A' ' 66' ' ' ASP . 2.9 p-10 -61.56 -84.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.571 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 5.1 m-20 -82.46 14.26 3.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.483 . . . . 0.0 111.031 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -66.01 -49.06 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -176.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 10.7 m-20 -67.32 -23.77 65.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.771 -175.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -73.92 -42.24 60.9 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 11.3 mm100 -66.91 -34.1 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.325 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 88.4 mttt -57.36 -38.68 74.56 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.379 0.609 . . . . 0.0 109.827 174.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.0 m -70.49 -42.51 71.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -68.26 -29.26 68.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.222 0.534 . . . . 0.0 110.956 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.465 ' HE1' HG23 ' A' ' 55' ' ' ILE . 21.9 t80 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.045 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 96.8 mttt -57.44 -36.82 71.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.196 0.522 . . . . 0.0 110.727 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -78.53 -30.37 46.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 22.6 m -64.89 -43.45 92.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.194 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.1 t -60.61 -39.93 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.321 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -58.95 -36.55 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.412 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.66 -15.26 68.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.605 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.12 -22.45 19.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.944 0.402 . . . . 0.0 111.197 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.62 25.64 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.315 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 m -55.76 -43.6 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.398 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.59 37.32 0.58 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.891 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.53 130.57 1.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.973 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.427 HG23 ' HD3' ' A' ' 47' ' ' LYS . 12.4 tt -95.41 -18.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 110.907 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.54 -14.06 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.344 0.592 . . . . 0.0 110.347 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.94 14.54 44.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.903 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -81.87 109.72 16.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -162.45 16.43 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -75.1 2.17 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 111.811 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.7 -38.31 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -109.13 -61.74 1.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.65 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 77' ' ' THR . . . -89.74 107.08 18.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.449 -171.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.79 139.97 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.569 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.571 HG23 ' HB3' ' A' ' 58' ' ' GLU . 2.2 p -77.16 105.71 8.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.9 174.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 p -72.09 49.3 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.878 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 70' ' ' GLN . 71.2 m -88.9 97.87 11.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.22 63.59 1.42 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.458 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -81.5 -10.82 59.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.797 0.332 . . . . 0.0 110.416 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.04 175.02 14.75 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.702 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.293 179.806 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.34 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.919 0.39 . . . . 0.0 111.122 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 mtt -109.29 119.95 41.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.03 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 5' ' ' PRO . . . -127.51 133.67 7.98 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.859 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HD3' ' HA2' ' A' ' 4' ' ' GLY . 6.3 Cg_exo -78.68 172.01 15.79 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.048 2.499 . . . . 0.0 111.619 176.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' CB ' ' HG2' ' A' ' 10' ' ' GLU . 17.7 ptmt -68.25 139.04 55.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.214 0.531 . . . . 0.0 111.219 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.594 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 21.0 m -125.35 -162.67 1.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.343 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -55.3 -46.83 76.22 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.594 ' OE1' ' HB2' ' A' ' 7' ' ' SER . 0.0 OUTLIER -68.49 -38.19 80.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.338 . . . . 0.0 110.11 -179.005 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.0 tp10 -63.57 -38.62 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.362 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 7' ' ' SER . 57.4 mt -69.85 -43.51 71.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 110.563 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.86 HD21 HG21 ' A' ' 48' ' ' ILE . 60.4 tp -72.08 -31.76 66.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.709 -175.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.616 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 5.5 ptm180 -68.95 -18.42 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.015 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 29.5 mt-10 -70.47 -24.7 62.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -87.35 -19.83 27.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 59.4 mt -91.42 175.05 7.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.137 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.572 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 34.2 m -73.17 167.87 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.73 -26.77 57.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.356 0.598 . . . . 0.0 109.58 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.28 -42.51 65.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.629 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.4 mt-30 -60.64 -29.7 69.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.048 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 17' ' ' SER . 96.6 mttt -57.17 -43.17 82.36 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.306 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -71.4 -33.53 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -75.8 -20.68 58.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.053 0.454 . . . . 0.0 110.433 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.31 -43.22 74.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.04 -47.17 86.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.041 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.98 -43.55 77.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.812 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.53 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -61.32 -43.78 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.17 -32.53 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.096 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.79 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 37' ' ' PHE . 58.8 mt -73.73 -22.08 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.88 -62.09 3.98 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.346 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -85.95 124.72 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.44 -20.91 65.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.03 -20.74 76.55 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.248 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -97.06 -28.25 14.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.753 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' HA ' HD12 ' A' ' 31' ' ' LEU . 60.2 t80 -69.12 -29.5 67.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.648 174.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.1 -43.5 66.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.908 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -54.81 -42.21 71.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.391 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.71 -33.24 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.368 0.604 . . . . 0.0 110.389 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 51.9 mt -80.12 10.67 4.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.709 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.68 25.18 5.66 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.361 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -106.74 178.4 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 111.829 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.12 129.23 41.14 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.38 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.8 mt-10 -61.2 -23.61 65.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.26 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 t -71.5 -38.47 71.16 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -74.57 -41.66 60.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 109.854 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.86 HG21 HD21 ' A' ' 12' ' ' LEU . 65.7 mt -55.15 -58.18 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.085 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.6 mttp -59.15 -40.43 85.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -62.99 -38.85 92.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.987 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.49 -46.22 90.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.264 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.64 -39.48 80.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.87 -42.67 90.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.475 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.88 -48.48 74.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 51' ' ' ALA . 75.7 mt -53.48 -46.68 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -61.94 -45.45 93.62 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -50.78 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 96' ' ' THR . 60.2 mm-40 -60.82 -39.95 90.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.346 0.593 . . . . 0.0 111.254 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -76.12 -27.34 57.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.584 -178.33 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.68 -26.66 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -76.69 -18.62 58.43 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 96.9 m -90.78 87.07 6.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.957 173.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -138.68 16.15 2.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.271 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.29 -139.93 4.43 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.801 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -71.41 -67.71 0.5 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 111.078 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -93.35 35.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.353 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -37.6 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.27 -39.89 73.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 110.768 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -72.03 -39.19 69.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.26 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.776 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.63 -35.64 78.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -73.43 -41.58 63.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.938 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.5 m -70.0 -31.26 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' A' ' 59' ' ' LEU . 18.4 t80 -63.69 -23.82 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -58.86 -37.63 76.95 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -73.76 -33.74 64.42 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.348 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.9 m -65.67 -46.95 77.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.83 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.61 -33.13 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.781 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 83' ' ' SER . 2.6 mm-40 -56.21 -47.18 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.762 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.9 -7.63 87.43 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.026 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.95 -50.55 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 0.0 110.993 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.9 16.13 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.077 0.465 . . . . 0.0 111.331 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.48 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 10.2 t -87.78 41.29 0.98 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.365 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.03 -28.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.649 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.73 148.03 9.47 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.932 -1.128 . . . . 0.0 112.746 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -100.08 -14.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.546 0.689 . . . . 0.0 109.962 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.88 -24.88 59.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.936 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.22 7.69 58.62 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.189 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -77.3 121.84 24.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.042 0.449 . . . . 0.0 110.504 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.74 -159.08 25.54 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 m -70.88 1.9 4.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -81.91 -37.25 27.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -126.78 -20.08 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.189 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -127.86 116.44 20.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.564 0.221 . . . . 0.0 111.016 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.82 154.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.974 0.416 . . . . 0.0 111.313 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 58' ' ' GLU . 8.7 p -92.92 127.29 38.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.699 166.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 p -72.17 21.11 0.06 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.472 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.401 ' H ' ' C ' ' A' ' 96' ' ' THR . 45.4 m -70.04 110.61 5.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.57 0.7 . . . . 0.0 109.958 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.22 60.55 0.21 Allowed Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 -165.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.43 110.09 5.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.814 -0.693 . . . . 0.0 111.914 -164.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.5 106.11 1.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.648 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.641 -176.795 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.874 -0.491 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.42 171.09 8.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -146.46 148.51 32.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.682 0.277 . . . . 0.0 110.582 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.59 -156.56 26.32 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.647 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.05 141.34 18.66 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.631 2.221 . . . . 0.0 111.752 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 10' ' ' GLU . 39.4 mtmt -69.04 139.74 54.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.455 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 8.2 m -65.35 166.09 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.784 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.41 -33.93 71.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.842 0.353 . . . . 0.0 110.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 12.4 pt-20 -62.49 -37.14 84.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.328 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.6 tm-20 -67.57 -42.96 81.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.56 -35.2 70.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.714 HD21 HG21 ' A' ' 48' ' ' ILE . 56.3 tp -74.28 -44.29 53.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.85 -22.13 65.26 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.422 -174.516 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 11.8 mm-40 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 0.0 110.884 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.18 -0.23 39.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.015 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 39.0 mt -99.15 172.03 7.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.621 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 64.8 p -90.86 169.76 10.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.929 175.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.88 -34.4 75.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.207 0.527 . . . . 0.0 109.777 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.56 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.182 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.9 mt-30 -59.75 -38.57 82.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.877 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 86.2 mttt -62.33 -36.37 81.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.778 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.2 m -68.59 -44.55 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.922 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 65.3 m80 -73.52 -17.26 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.571 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.1 -44.78 91.26 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -64.56 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.396 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -63.43 -47.77 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.259 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 30' ' ' ALA . 38.1 tp -65.19 -24.26 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.829 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 35.6 ttmt -60.17 -43.45 95.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.01 -33.57 57.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.238 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -62.57 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.62 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 36' ' ' GLU . 87.8 mt -83.79 -18.65 36.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.05 -62.25 4.02 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.492 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -92.92 144.95 24.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.879 0.371 . . . . 0.0 110.536 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.21 -36.17 77.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.166 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.62 96.76 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.65 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 31' ' ' LEU . 25.8 mm-40 -76.54 -28.34 56.27 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.501 -0.411 . . . . 0.0 111.448 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.7 t80 -73.52 -35.69 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.32 -38.16 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.164 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 3.2 tppp? -49.8 -51.96 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.665 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.509 ' CE2' HG23 ' A' ' 48' ' ' ILE . 90.4 t80 -69.53 -35.85 75.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.021 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 77.6 mt -74.57 2.23 10.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.818 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.93 29.07 8.33 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.14 -177.04 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 112.014 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 48' ' ' ILE . 7.9 t70 -71.37 136.95 48.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.296 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.45 -38.0 68.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.291 0.369 . . . . 0.0 111.086 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -61.85 -34.62 76.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.12 0.486 . . . . 0.0 110.034 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.477 ' HD3' HG23 ' A' ' 86' ' ' ILE . 99.4 mttt -86.81 -37.68 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.714 HG21 HD21 ' A' ' 12' ' ' LEU . 76.3 mt -61.89 -51.84 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HE2' HD23 ' A' ' 16' ' ' LEU . 89.2 mttt -65.14 -29.97 70.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -71.76 -42.22 67.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.33 -47.41 82.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.72 -38.73 91.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.4 -37.73 87.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.679 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.491 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.473 HG22 HD22 ' A' ' 59' ' ' LEU . 66.9 mt -53.68 -39.5 38.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.513 176.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 30.4 ttpt -63.01 -36.11 82.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.177 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -61.55 -55.89 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.496 ' HB3' HG23 ' A' ' 96' ' ' THR . 21.2 mm-40 -62.92 -32.69 74.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.238 -176.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -76.27 -26.84 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.331 177.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -76.64 -38.83 53.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.418 0.628 . . . . 0.0 109.89 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.85 -17.75 61.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.531 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -121.22 100.1 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.37 108.64 7.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.979 0.895 . . . . 0.0 109.933 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.49 -166.07 39.29 Favored Glycine 0 C--N 1.315 -0.611 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.591 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -78.73 -25.29 44.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.35 0.575 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.38 -17.45 42.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.207 0.527 . . . . 0.0 110.054 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -60.26 -32.56 71.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.882 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.81 -42.1 75.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.437 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.22 -46.78 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.416 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.15 -37.13 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.76 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.1 mttm -65.54 -34.56 78.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.551 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 77.7 m -73.46 -37.42 65.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.659 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.0 m -69.85 -36.85 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.211 0.529 . . . . 0.0 110.767 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.9 t80 -62.74 -32.4 73.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 87.7 mttt -51.84 -50.45 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.488 0.661 . . . . 0.0 110.704 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.78 -29.12 66.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.638 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.7 m -66.75 -46.38 75.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.572 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 74' ' ' PHE . 93.6 t -61.6 -35.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.1 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.46 -48.86 65.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.64 -20.7 68.06 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.297 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.83 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.885 0.374 . . . . 0.0 111.078 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.3 mt -106.01 30.56 5.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.002 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 p -63.34 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.905 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.83 47.69 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.112 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.46 149.36 5.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.624 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.477 HG23 ' HD3' ' A' ' 47' ' ' LYS . 18.2 tt -112.86 -28.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.026 0.413 . . . . 0.0 111.144 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.93 -12.87 60.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 110.719 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.55 -5.56 74.88 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 172.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -83.47 129.32 34.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 110.077 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.76 -155.26 26.55 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -67.64 -1.41 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 111.228 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -79.83 -32.67 40.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -138.12 -10.93 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.57 103.72 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.805 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 m -138.09 147.64 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.628 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 58' ' ' GLU . 20.1 p -96.64 118.13 32.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.082 169.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.9 p -78.86 31.05 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.92 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.71 87.7 6.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.57 -67.36 0.96 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.786 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -154.2 157.09 38.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.94 -78.16 0.15 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.759 -0.638 . . . . 0.0 109.536 178.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.567 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.67 72.08 0.31 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 111.669 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.426 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 2.8 tpt -88.33 -7.06 57.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 -178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 -163.88 17.7 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.03 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -78.99 -171.64 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.683 2.255 . . . . 0.0 111.066 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 24.1 mtmm -59.11 115.49 3.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.723 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 6.8 m -83.41 171.11 13.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.658 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -64.53 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 13.5 pt-20 -63.61 -25.29 68.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.95 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 32.2 tt0 -86.77 -42.51 13.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.989 -175.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.37 -36.58 79.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.28 0.562 . . . . 0.0 110.196 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 48' ' ' ILE . 58.3 tp -75.71 -29.89 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.681 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 9.7 ptm180 -72.45 -15.27 61.82 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 36.7 mt-10 -71.09 -26.2 62.94 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' OE1' ' A' ' 45' ' ' GLU . 26.6 mmtp -87.73 -23.04 24.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.233 -177.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 87.8 mt -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.184 -171.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.633 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.4 p -83.85 179.32 7.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.874 174.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.03 -33.02 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.388 0.613 . . . . 0.0 111.079 -170.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.98 -43.04 68.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.364 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 16.0 mm-40 -62.49 -42.01 99.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.681 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 90.1 mttt -58.87 -33.97 71.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.926 0.393 . . . . 0.0 111.181 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.3 m -64.21 -42.11 96.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -84.98 -22.33 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -50.64 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.9 -31.28 68.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.597 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.1 -45.85 93.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' CD1' HG11 ' A' ' 78' ' ' VAL . 48.9 tp -60.15 -29.63 68.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.995 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -59.77 -41.94 92.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.737 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -78.1 -32.42 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.92 -56.57 19.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.34 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 74.6 mt -64.14 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.35 -44.99 3.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.853 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.4 127.15 46.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.41 -43.33 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.865 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.57 90.28 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.899 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.89 -33.3 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.496 -0.414 . . . . 0.0 110.372 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.472 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 54.3 t80 -66.33 -30.22 70.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.045 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.8 t70 -54.37 -40.49 68.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.813 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -52.73 -43.62 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.632 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CE1' HG23 ' A' ' 48' ' ' ILE . 86.6 t80 -69.25 -32.35 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.314 0.578 . . . . 0.0 111.096 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 38' ' ' ASP . 42.8 mt -72.89 -10.1 59.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.086 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.45 24.93 27.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.05 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -106.52 -179.27 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.032 0.444 . . . . 0.0 112.196 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' ' 48' ' ' ILE . 37.8 t70 -71.31 140.12 50.17 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.184 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' A' ' 15' ' ' LYS . 30.9 mt-10 -56.32 -41.08 75.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.491 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.461 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 31.1 t -68.22 -30.64 69.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -81.7 -40.37 22.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.01 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.674 HG21 HD21 ' A' ' 12' ' ' LEU . 69.3 mt -61.58 -54.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.687 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.1 m -73.15 -41.26 64.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.563 0.221 . . . . 0.0 110.574 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.34 85.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.96 -45.62 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 20.7 t70 -66.17 -28.62 68.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.953 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.01 -48.93 64.38 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 174.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.04 -45.69 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.463 0.649 . . . . 0.0 109.356 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 28.1 tttt -57.07 -25.44 58.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -83.02 -53.53 5.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.882 0.372 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.32 -45.03 89.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.265 0.555 . . . . 0.0 111.274 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 74' ' ' PHE . 18.5 tp -65.93 -21.64 66.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.698 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.4 -42.24 14.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.774 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -64.26 -20.79 66.29 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.948 0.404 . . . . 0.0 110.643 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.437 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 35.5 m -84.47 97.59 9.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -151.66 113.81 4.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.593 0.711 . . . . 0.0 109.428 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.88 -133.33 4.24 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.669 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -87.91 -16.26 34.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.609 0.718 . . . . 0.0 110.102 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.44 -11.5 23.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -57.54 -57.09 14.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.564 -169.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.18 -45.8 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.97 -45.85 63.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.12 -40.16 92.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.106 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.471 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 68.7 mttm -62.69 -32.12 73.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.794 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 m -75.94 -46.45 29.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 m -70.43 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.455 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.467 ' HD2' HD13 ' A' ' 59' ' ' LEU . 18.0 t80 -62.91 -28.23 69.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.969 0.414 . . . . 0.0 110.711 -178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 93.6 mttt -56.75 -42.35 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.639 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.86 -31.82 65.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.067 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.0 m -61.08 -39.55 90.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.336 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 27' ' ' LEU . 86.4 t -62.27 -36.75 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.88 -174.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.6 mp0 -62.95 -35.45 80.17 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.067 0.46 . . . . 0.0 110.667 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.34 -12.52 83.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.75 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.72 19.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.87 33.01 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 p -77.62 50.1 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.535 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.14 -37.71 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.875 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.81 176.15 38.77 Favored Glycine 0 N--CA 1.429 -1.767 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 48' ' ' ILE . 18.6 tt -77.75 -19.16 13.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.506 0.669 . . . . 0.0 110.228 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -73.4 98.86 2.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.663 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.99 -4.9 10.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.926 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.19 113.02 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.09 -163.21 16.53 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.09 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -74.58 2.19 10.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.48 -30.64 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -114.2 -59.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.956 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.04 97.17 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.052 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 135.26 50.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.969 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.437 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 20.8 p -95.82 122.18 38.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.716 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.1 p -78.58 26.17 0.24 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.212 0.53 . . . . 0.0 111.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 96' ' ' THR . 62.2 m -75.56 160.58 29.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.315 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.69 33.01 5.73 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -173.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -74.78 124.2 26.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.919 -0.64 . . . . 0.0 110.647 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.68 -84.74 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.533 176.208 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 112.586 -0.205 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.61 -53.65 4.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 0.0 111.345 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 mmt -103.48 124.38 48.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.57 -148.81 7.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.17 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.99 167.63 22.87 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.142 2.561 . . . . 0.0 111.739 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.515 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 60.4 pttt -68.85 133.83 48.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.304 0.573 . . . . 0.0 111.517 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 19.6 m -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.158 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.4 mttp -59.0 -37.65 77.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 110.155 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.751 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 11.8 pt-20 -57.1 -44.28 83.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.323 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' HG3' ' HG3' ' A' ' 9' ' ' GLU . 47.5 mt-10 -74.34 -31.5 62.45 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 8' ' ' LYS . 75.2 mt -64.51 -43.15 94.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.751 172.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.639 HD21 HG21 ' A' ' 48' ' ' ILE . 55.8 tp -66.31 -34.58 78.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.593 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.7 mtp85 -59.76 -30.25 68.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.769 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.9 mt-10 -70.39 -26.8 63.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.467 . . . . 0.0 110.222 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -93.38 -1.61 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 88.2 mt -110.2 155.14 22.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 111.871 -173.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 t -71.99 170.91 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.562 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -70.7 -36.28 73.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.526 0.679 . . . . 0.0 110.019 -173.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.78 -38.46 89.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.309 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.4 mm100 -65.33 -38.82 91.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 91.4 mttt -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.661 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.0 m -62.15 -46.95 86.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.932 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -78.64 -13.85 59.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.74 -47.57 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -62.46 -32.14 72.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -66.03 -47.69 73.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 27' ' ' LEU . 2.9 tt -67.08 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.945 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -54.57 -40.12 68.45 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.419 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -80.04 -34.94 37.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -54.26 -49.42 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.323 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 89.6 mt -80.62 -36.84 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.19 32.17 81.59 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.694 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -150.91 129.57 12.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.66 -53.2 59.41 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.477 0.486 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -41.3 89.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.385 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -72.19 -34.65 68.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.027 0.413 . . . . 0.0 110.944 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.522 ' HA ' HD12 ' A' ' 31' ' ' LEU . 73.1 t80 -73.49 -33.96 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.0 t70 -59.05 -38.68 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.341 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -57.39 -39.26 75.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.506 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.461 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 63.9 t80 -66.51 -36.45 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.206 0.527 . . . . 0.0 110.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 38' ' ' ASP . 21.2 mt -66.72 -17.3 64.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.12 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 14.5 62.04 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.335 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 40' ' ' PHE . 25.7 m-85 -89.53 -177.43 5.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.486 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' HB3' ' HG3' ' A' ' 47' ' ' LYS . 27.0 t0 -66.21 132.95 49.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.246 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.92 -37.09 63.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -63.7 -36.1 82.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.155 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 58.3 mttm -83.44 -38.21 22.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.059 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.639 HG21 HD21 ' A' ' 12' ' ' LEU . 83.0 mt -60.4 -49.24 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.17 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.4 -37.31 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -66.27 -43.58 86.0 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.528 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -56.46 -53.49 56.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.699 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.79 -39.36 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.554 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.18 -37.79 72.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.781 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.34 -44.82 95.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.486 HG23 ' CE1' ' A' ' 74' ' ' PHE . 78.9 mt -55.67 -48.28 77.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.398 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -58.54 -31.94 68.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 m -74.15 -54.38 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 26.3 mm-40 -63.7 -47.5 80.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.528 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.84 -28.64 70.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.893 0.378 . . . . 0.0 111.114 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.45 -34.27 77.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 41.6 mtmt -66.57 -19.61 65.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.091 0.472 . . . . 0.0 110.583 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 29.3 m -86.03 69.96 10.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.494 . . . . 0.0 110.371 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -125.98 17.02 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.641 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.18 -164.56 37.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.435 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -62.18 -37.13 84.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.663 0.268 . . . . 0.0 111.538 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.42 42.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.691 0.758 . . . . 0.0 109.678 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.57 -53.8 36.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.677 -174.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.549 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -68.53 -33.68 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.731 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -66.48 -42.56 87.27 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.48 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 81.9 mm-40 -63.52 -41.88 98.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 175.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 87.1 mttt -55.31 -47.59 75.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 110.147 175.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 29.7 m -67.0 -35.15 79.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.249 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -76.68 -30.1 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.081 0.467 . . . . 0.0 110.9 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 55' ' ' ILE . 6.2 t80 -65.05 -30.73 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 88.5 mttt -55.74 -50.18 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.476 172.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.54 -33.48 76.02 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.034 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.8 m -59.7 -48.43 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.01 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.59 -35.07 71.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.4 tm0? -52.59 -47.3 67.01 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.214 0.53 . . . . 0.0 110.468 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.23 21.35 38.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.303 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.69 -51.1 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.01 0.48 24.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.482 0.658 . . . . 0.0 111.514 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 p -86.74 -12.52 47.96 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.41 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.0 4.14 35.81 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.129 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.45 -134.63 6.95 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 tt -170.86 -29.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.716 0.294 . . . . 0.0 110.876 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.91 -34.08 74.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.41 16.6 57.28 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.044 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -81.63 122.99 28.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.37 -145.14 10.03 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.476 ' HA ' HG13 ' A' ' 95' ' ' VAL . 3.1 p -68.08 -4.09 12.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 0.0 111.357 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -80.17 -27.63 38.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -143.85 -27.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.91 101.2 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 91' ' ' SER . 3.1 m -136.55 144.09 33.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.291 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 34.9 p -96.1 115.77 27.95 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.241 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.0 p -73.09 56.97 0.46 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.476 0.655 . . . . 0.0 110.118 172.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.547 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 78.2 m -112.79 107.85 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.852 -175.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -164.45 -177.97 37.52 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -115.65 101.27 8.69 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.46 -17.34 53.68 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.294 178.037 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.307 -0.317 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.51 158.34 36.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.381 . . . . 0.0 111.461 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.7 ttt -143.59 136.48 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.66 178.28 18.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.263 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.49 170.1 13.35 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 123.108 2.538 . . . . 0.0 112.1 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.545 ' HB2' ' CB ' ' A' ' 10' ' ' GLU . 54.4 pttt -61.97 135.94 57.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.472 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 39.0 m -103.03 -165.13 1.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.008 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HB2' HD13 ' A' ' 41' ' ' LEU . 55.0 mttp -51.94 -46.6 64.76 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 123.533 0.521 . . . . 0.0 111.59 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.515 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -61.45 -39.78 92.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 -178.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.5 mm-40 -72.82 -42.14 64.14 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 70.2 mt -66.11 -34.69 78.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 48' ' ' ILE . 59.4 tp -80.22 -39.86 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.5 ptm180 -65.84 -19.11 65.76 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.636 0.255 . . . . 0.0 110.394 -177.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 51.4 mt-10 -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.767 0.794 . . . . 0.0 109.862 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -96.77 15.19 22.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.37 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 95.3 mt -110.28 163.73 13.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.641 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 3.2 p -81.34 169.75 16.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.8 -33.54 74.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.628 0.727 . . . . 0.0 109.556 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.55 -44.23 96.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.671 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.59 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 11.9 mm-40 -66.28 -43.39 86.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 17' ' ' SER . 85.6 mttt -57.92 -35.23 70.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -47.21 79.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.24 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CD2' HD12 ' A' ' 59' ' ' LEU . 73.6 m80 -85.55 -13.48 48.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.03 0.443 . . . . 0.0 111.054 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.1 tm? -62.04 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 171.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.71 -35.66 76.87 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.651 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -59.35 -45.05 92.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.476 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 20.8 mt -64.74 -25.75 68.06 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.7 ttmm -61.75 -34.73 76.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -81.4 -42.66 20.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.838 171.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -56.04 -55.5 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.924 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 36' ' ' GLU . 4.4 mm? -59.36 -31.31 69.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.563 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.64 4.98 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.425 HD22 ' HG2' ' A' ' 36' ' ' GLU . 35.8 t30 -82.63 120.09 25.11 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 171.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.54 -28.25 69.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 -37.2 94.44 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.381 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 31' ' ' LEU . 11.6 mm-40 -72.85 -24.72 60.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.044 0.45 . . . . 0.0 110.935 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 73.8 t80 -75.79 -34.32 60.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.479 -0.564 . . . . 0.0 109.479 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 41' ' ' LEU . 37.1 t70 -59.96 -43.72 94.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.51 0.671 . . . . 0.0 109.736 172.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 52.5 tptt -51.53 -44.51 62.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.829 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 73.0 t80 -62.3 -38.91 91.24 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.918 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 8' ' ' LYS . 51.0 mt -72.16 -11.63 60.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.133 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.74 35.61 4.63 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.115 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' A' ' 40' ' ' PHE . 26.0 m-85 -115.63 178.97 4.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.497 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 13.9 t70 -67.41 139.78 57.14 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.31 -42.35 52.54 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.624 0.578 . . . . 0.0 111.336 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -72.63 -33.62 66.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.385 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE2' ' CB ' ' A' ' 44' ' ' ASP . 41.1 mtmt -75.65 -34.94 60.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 12' ' ' LEU . 73.2 mt -62.21 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.958 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.2 mttt -65.29 -37.13 86.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.47 -178.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -65.49 -40.41 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.467 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.27 -53.36 54.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.07 -46.11 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.8 -38.44 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.68 -44.34 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.598 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 51' ' ' ALA . 81.5 mt -53.56 -45.77 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.33 -41.37 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.924 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.1 t -57.7 -48.75 78.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.431 . . . . 0.0 110.808 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 96' ' ' THR . 13.0 mm-40 -70.26 -41.88 72.88 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.531 HD22 ' HG2' ' A' ' 71' ' ' LYS . 42.4 mt -71.78 -20.59 61.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.298 0.571 . . . . 0.0 110.359 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.72 -28.4 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.482 0.658 . . . . 0.0 109.57 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.21 84.09 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.778 -172.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -131.28 15.89 5.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.064 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -151.08 26.35 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.785 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -81.17 -7.22 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 110.766 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -92.57 -0.27 57.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.749 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.14 2.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -166.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -41.17 86.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.174 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -69.44 -47.14 64.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.475 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -62.48 -37.18 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.531 ' HG2' HD22 ' A' ' 59' ' ' LEU . 96.9 mttt -57.63 -49.63 75.8 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.312 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -39.21 93.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.369 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -76.02 -30.67 58.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.866 0.365 . . . . 0.0 110.755 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 78' ' ' VAL . 8.6 t80 -64.59 -33.56 76.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.854 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 91.7 mttt -52.55 -43.08 64.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.836 175.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -70.64 -36.85 73.64 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.726 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.8 m -65.69 -42.89 90.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.676 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.551 HG11 HD21 ' A' ' 27' ' ' LEU . 62.5 t -68.29 -31.66 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 73.9 mt-30 -55.74 -47.35 77.08 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 110.597 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.85 7.66 53.96 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.312 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.09 -50.79 2.93 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.6 0.238 . . . . 0.0 111.015 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 HD21 ' A' ' 31' ' ' LEU . 91.9 mt -74.19 -33.6 63.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.293 0.568 . . . . 0.0 112.029 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 t -75.59 -27.42 58.52 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.902 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.65 -48.59 5.8 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.648 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.13 116.94 0.42 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.284 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.0 tt -72.96 -12.76 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.576 0.703 . . . . 0.0 110.07 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.53 -17.32 64.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.186 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.29 30.12 4.61 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.424 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -84.1 121.79 27.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.22 -156.34 15.02 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.002 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -77.92 0.4 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.451 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -84.88 -38.28 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -118.34 -12.08 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.19 105.69 5.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.814 0.34 . . . . 0.0 111.286 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.41 149.19 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.655 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 16.8 p -92.93 118.62 31.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 p -71.6 47.24 0.13 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.328 0.585 . . . . 0.0 111.065 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.655 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 84.4 m -93.99 32.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -176.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.93 24.5 26.22 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.62 151.94 20.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.289 -0.456 . . . . 0.0 110.188 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.14 -44.58 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.247 0.946 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.024 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 6' ' ' LYS . . . -160.54 127.73 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.296 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -113.48 -30.37 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.273 0.559 . . . . 0.0 109.548 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -112.2 3.67 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.1 159.33 37.45 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.471 2.114 . . . . 0.0 110.03 167.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.569 ' HE2' HD23 ' A' ' 11' ' ' LEU . 19.9 ptmt -65.99 142.13 57.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.081 0.467 . . . . 0.0 110.411 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -71.27 168.26 17.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.096 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 11' ' ' LEU . 98.0 mttt -63.95 -36.08 82.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.924 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.14 -32.11 72.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.724 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.85 -28.6 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.88 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD23 ' HE2' ' A' ' 6' ' ' LYS . 28.6 mt -78.92 -49.67 12.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 175.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 49.8 tp -65.06 -39.68 93.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.857 -175.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptm180 -59.92 -27.68 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 111.187 -176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.65 -32.51 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 0.0 110.263 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -95.34 2.11 54.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.444 -176.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 84.9 mt -97.66 177.46 5.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 73.3 p -82.98 -176.51 6.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.9 -41.21 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.186 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -44.3 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.599 0.238 . . . . 0.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.2 mt-30 -57.25 -30.78 64.93 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.5 mttt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 110.633 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -70.82 -23.78 62.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.7 mt -62.79 -51.34 67.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 170.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.86 -32.93 73.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.521 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -63.22 -46.46 86.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.862 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 33.4 tp -61.86 -32.28 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -56.41 -43.6 79.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.997 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.39 -37.56 51.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.127 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -61.19 -45.42 94.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.096 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' HG2' ' A' ' 79' ' ' GLN . 95.2 mt -77.37 -41.7 39.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.399 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.24 13.36 67.3 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.687 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 54.6 t-20 -139.17 129.84 26.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.63 -45.24 89.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.597 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.86 92.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.802 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 14.4 mm-40 -68.33 -37.41 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.824 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.657 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.5 t80 -74.52 -40.74 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -53.06 -45.54 68.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.172 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 51.2 pttt -62.44 -26.99 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.787 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 48' ' ' ILE . 90.5 t80 -69.45 -41.58 76.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 37' ' ' PHE . 2.1 mm? -66.14 -23.39 66.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.324 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.65 42.33 3.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.504 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -127.28 179.37 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' HG13 ' A' ' 48' ' ' ILE . 26.0 t70 -62.12 128.79 37.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.957 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.46 -36.07 68.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.692 0.282 . . . . 0.0 111.452 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.482 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 40.7 m -73.02 -29.9 63.36 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.246 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.55 -39.92 57.53 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.616 HG21 HD21 ' A' ' 12' ' ' LEU . 72.4 mt -60.62 -52.34 62.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.218 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HE2' HD23 ' A' ' 16' ' ' LEU . 99.5 mttt -61.1 -34.61 75.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.353 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.6 m -67.97 -45.44 74.19 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.415 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.2 -49.2 77.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.63 -40.48 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.408 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.36 -35.5 75.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.11 -44.87 87.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 51' ' ' ALA . 80.6 mt -52.49 -46.92 48.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 65.7 tttp -58.82 -49.66 76.86 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.645 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -51.49 -36.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 66.3 mm-40 -87.99 -49.59 6.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.607 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -67.41 -27.4 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.781 0.324 . . . . 0.0 111.663 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 4.0 t70 -70.31 -13.62 62.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.713 -177.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.46 -36.94 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.366 0.603 . . . . 0.0 110.262 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.649 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 2.8 m -96.57 99.54 11.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.646 -172.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -125.19 0.65 7.82 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.696 0.284 . . . . 0.0 111.064 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.61 -175.68 48.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.112 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -69.1 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.729 0.412 . . . . 0.0 111.358 -177.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.48 -12.23 61.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.663 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -64.71 -23.27 67.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.034 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.18 -42.11 85.36 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.388 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -68.47 -32.72 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 110.377 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.41 -31.29 68.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.994 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 78.5 mttt -64.58 -41.04 96.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.502 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 22.0 m -64.51 -31.77 73.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.562 175.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.7 m -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.189 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -63.24 -29.95 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.408 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 88.7 mttt -54.09 -47.14 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.479 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.33 -34.99 73.32 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.197 -178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 94' ' ' ALA . 26.8 m -60.5 -45.48 93.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.682 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 74' ' ' PHE . 69.1 t -67.69 -39.24 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.511 ' HG2' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.21 -45.04 84.19 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.252 177.394 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.55 -27.23 67.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.643 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.95 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.834 0.35 . . . . 0.0 111.08 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.8 mt -77.3 5.42 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.181 0.515 . . . . 0.0 111.475 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -84.29 -21.56 31.0 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.7 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.36 16.73 21.91 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.872 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.46 155.88 12.64 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.575 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -91.21 -17.61 7.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 110.344 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.64 -41.28 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.445 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.97 3.72 85.77 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.108 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -71.17 122.86 20.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.26 -151.32 15.28 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.756 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.1 -0.74 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.406 . . . . 0.0 111.78 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -72.81 -22.0 60.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.723 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -146.17 -48.45 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.801 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -83.2 98.5 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.0 111.524 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 58' ' ' GLU . 2.5 m -142.96 149.97 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.469 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 58' ' ' GLU . 15.9 p -98.01 114.73 26.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.703 0.764 . . . . 0.0 111.315 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 p -78.72 24.85 0.28 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.939 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.33 113.03 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.69 -117.05 0.71 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.342 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -140.69 163.36 33.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.937 0.398 . . . . 0.0 110.979 -175.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.87 -39.46 0.82 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.313 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.126 -0.39 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.33 163.72 12.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 tpt -75.35 98.65 3.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.292 176.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.31 166.85 32.3 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.109 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -86.52 -169.38 0.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.945 2.43 . . . . 0.0 112.472 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HE2' HD23 ' A' ' 11' ' ' LEU . 48.1 mtpt -84.53 136.95 33.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.229 0.538 . . . . 0.0 110.844 176.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.5 m -81.59 168.73 17.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.021 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -53.82 -42.53 68.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.59 -39.44 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 6.8 mm-40 -69.78 -44.82 69.34 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD23 ' HE2' ' A' ' 6' ' ' LYS . 61.7 mt -69.25 -37.32 77.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.327 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.61 HD21 HG21 ' A' ' 48' ' ' ILE . 40.8 tp -67.48 -39.85 85.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.371 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 46.4 mtt85 -54.98 -34.14 63.11 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 111.14 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 31.8 mt-10 -69.82 -25.44 63.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -102.01 -3.7 27.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.517 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 56.5 mt -100.03 166.35 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.503 0.668 . . . . 0.0 111.382 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 29.6 t -79.57 174.5 11.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.854 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.07 -36.46 61.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.247 0.546 . . . . 0.0 110.327 -172.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.09 -39.33 86.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.361 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.25 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.81 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.6 mttt -63.76 -40.15 96.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.386 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 m -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.755 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.69 -16.78 59.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 15.9 mt -68.35 -48.45 64.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.31 -40.0 94.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -64.4 -47.5 78.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.566 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD13 HG11 ' A' ' 78' ' ' VAL . 49.0 tp -67.22 -32.43 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.004 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.59 -39.59 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.568 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.51 -50.14 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.15 -37.34 64.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.18 -45.24 3.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.748 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -95.54 124.29 39.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 110.712 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.47 -35.91 78.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.696 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.14 -35.18 91.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.557 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -77.83 -27.32 49.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.054 0.454 . . . . 0.0 110.465 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 47.9 t80 -73.42 -33.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.6 t70 -55.97 -43.87 77.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.67 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -51.9 30.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.505 176.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.6 t80 -63.97 -40.4 96.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 87.3 mt -66.87 -17.42 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.687 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 23.29 36.06 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.772 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -104.98 175.23 5.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.437 . . . . 0.0 111.616 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.37 138.75 58.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.128 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -54.97 -37.04 66.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.834 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -62.75 -36.46 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.318 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.9 -37.96 19.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.243 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.61 HG21 HD21 ' A' ' 12' ' ' LEU . 71.5 mt -60.05 -53.14 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.01 176.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.9 mttt -62.91 -31.25 72.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.671 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -70.04 -45.37 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.9 -42.67 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.1 -38.84 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -65.54 -46.08 80.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 74' ' ' PHE . 86.5 mt -54.32 -46.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -58.07 -33.97 69.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.173 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 m -74.75 -50.36 17.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.511 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.57 ' HB3' HG23 ' A' ' 96' ' ' THR . 27.4 mm-40 -66.12 -48.36 71.09 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.194 -0.203 . . . . 0.0 111.322 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD11 ' HG2' ' A' ' 71' ' ' LYS . 25.6 tp -58.8 -26.01 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.35 -175.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.9 -29.29 66.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.675 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -71.22 -26.91 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.81 0.338 . . . . 0.0 111.833 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.0 m -97.37 72.01 2.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.516 . . . . 0.0 110.893 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.64 13.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.01 -144.77 14.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.81 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.05 -29.0 67.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.101 0.477 . . . . 0.0 110.986 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD2' ' HA ' ' A' ' 100' ' ' ASN . 1.9 p30 -100.93 15.82 27.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.096 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -55.4 -67.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -166.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -62.94 -31.14 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.578 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -71.2 -40.75 70.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 85.0 mm-40 -70.59 -34.51 72.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.72 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 90.4 mttt -55.35 -47.44 75.72 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 109.6 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.433 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 29.7 m -62.99 -35.11 79.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.874 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.6 m -75.19 -35.21 61.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.138 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CE1' HG23 ' A' ' 55' ' ' ILE . 7.5 t80 -64.93 -29.37 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.062 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 97.7 mttt -57.77 -35.66 71.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.186 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -75.08 -36.02 61.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.564 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 94' ' ' ALA . 31.9 m -63.4 -46.22 87.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.725 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.1 t -59.62 -35.59 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -56.22 -43.78 78.89 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 111.051 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.37 -18.37 79.95 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.157 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . . . -73.87 -54.85 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.584 0.231 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.529 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.7 mm? -75.77 -0.95 22.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.302 0.572 . . . . 0.0 111.585 -178.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -77.41 -24.42 50.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.398 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.61 25.67 20.48 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.2 134.87 5.79 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.719 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 tt -65.51 -19.89 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.288 0.566 . . . . 0.0 110.752 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.92 -16.53 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.72 20.54 36.41 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CE1' HD21 ' A' ' 82' ' ' LEU . 19.7 t80 -85.85 119.31 26.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.32 -163.4 28.23 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.271 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 m -73.63 5.95 3.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.45 . . . . 0.0 111.454 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -93.31 -19.73 21.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 110.634 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.513 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 28.1 p-10 -137.83 -37.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.693 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -104.48 96.31 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.566 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.16 147.57 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 111.331 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.57 HG23 ' HB3' ' A' ' 58' ' ' GLU . 8.3 p -89.26 108.72 19.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.114 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.5 p -81.53 29.28 0.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 58.6 m -71.88 99.04 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.024 -176.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.05 100.33 1.46 Allowed Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.416 ' HA ' ' OD2' ' A' ' 66' ' ' ASP . 23.4 p30 -71.21 -15.45 62.46 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -173.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.55 38.21 0.18 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 177.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.801 -175.264 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.57 117.41 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.894 0.378 . . . . 0.0 110.522 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.0 ptp -93.42 24.99 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.12 -172.28 39.22 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.954 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -78.59 -168.83 0.67 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.819 2.346 . . . . 0.0 112.224 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -56.45 110.48 0.78 Allowed 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.429 0.633 . . . . 0.0 110.074 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.0 168.64 19.4 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.248 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.25 -44.29 75.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.43 -35.8 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 4.8 mm-40 -71.61 -17.02 62.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.551 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -99.32 -43.48 6.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.139 0.495 . . . . 0.0 109.993 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.73 HD21 HG21 ' A' ' 48' ' ' ILE . 59.9 tp -64.3 -40.65 96.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.953 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 8.0 ptm180 -60.82 -29.66 69.61 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.37 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.99 -32.77 71.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -85.54 -1.88 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.585 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.6 mt -95.71 176.72 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.194 0.521 . . . . 0.0 111.537 -176.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.9 m -88.13 169.44 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.665 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.53 -35.29 75.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.421 . . . . 0.0 110.416 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.43 -56.68 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 82.5 mt-30 -58.77 -36.95 75.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.105 -173.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.4 mttt -59.98 -37.84 80.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.037 0.446 . . . . 0.0 110.928 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 m -70.61 -36.06 73.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.491 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -77.06 -21.13 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.318 -178.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.545 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 4.4 mt -62.93 -47.08 84.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 33.1 t70 -63.36 -41.5 98.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.14 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.09 -49.42 77.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD13 HG11 ' A' ' 78' ' ' VAL . 46.9 tp -62.79 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.134 -179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.45 -52.83 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 25.3 mm-40 -62.9 -39.49 94.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.872 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.6 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD23 ' HG2' ' A' ' 79' ' ' GLN . 94.1 mt -75.95 -43.51 44.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.206 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.45 -61.43 4.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.319 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -68.45 132.08 46.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.082 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.99 73.13 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.354 -176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.58 -34.71 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.393 -0.475 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 32.6 t80 -72.79 -38.69 67.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 41' ' ' LEU . 14.8 t70 -58.41 -38.89 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.995 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -51.22 -53.54 34.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.356 176.371 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.607 ' CE2' HG23 ' A' ' 48' ' ' ILE . 84.4 t80 -63.17 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.932 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 73.6 mt -65.83 -15.43 62.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.761 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.63 13.7 63.81 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.676 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 25.6 m-85 -93.05 -178.22 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 0.0 111.697 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' ' 48' ' ' ILE . 14.9 t70 -72.26 136.62 46.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.116 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.56 -37.59 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.071 0.232 . . . . 0.0 111.322 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -68.07 -32.4 72.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.995 0.426 . . . . 0.0 110.238 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.47 -37.96 22.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.126 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.73 HG21 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -60.5 -50.92 78.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.224 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HE2' HD23 ' A' ' 16' ' ' LEU . 97.6 mttt -66.06 -33.91 76.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.247 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -67.71 -42.41 82.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.511 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.56 -48.11 82.49 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.13 -41.04 97.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.639 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.44 -40.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -62.11 -44.03 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.5 mt -50.67 -48.56 27.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.798 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.843 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 m -57.31 -43.95 83.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 31.7 mm-40 -69.63 -45.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.05 177.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.22 -34.74 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -25.86 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.429 -177.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 53.0 mttm -68.37 -28.66 67.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.269 0.557 . . . . 0.0 110.575 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 3.8 m -89.34 87.58 7.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.913 -173.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -140.26 103.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.843 0.83 . . . . 0.0 109.144 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . 167.02 -160.38 34.05 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.715 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -69.8 -27.63 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.292 0.546 . . . . 0.0 111.684 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.1 m-20 -93.36 0.65 56.98 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -55.54 -43.56 75.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.13 -48.09 71.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.505 0.669 . . . . 0.0 110.953 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -72.27 -45.05 61.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.456 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.617 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.1 mm100 -60.54 -45.63 93.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.311 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.57 -39.92 95.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 0.0 110.19 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -64.27 -47.08 80.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.091 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.2 m -70.18 -24.47 63.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 111.117 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 t80 -66.69 -30.78 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 93.4 mttt -56.02 -39.51 72.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 18.3 mt-30 -71.31 -39.77 71.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.462 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.4 m -60.45 -48.18 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.774 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.2 t -63.65 -34.06 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.539 ' HG2' HD23 ' A' ' 31' ' ' LEU . 63.9 mt-30 -55.52 -38.65 69.51 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.75 6.62 83.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.95 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.551 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -97.23 -55.78 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.605 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.4 mm? -88.89 24.57 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.629 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -64.79 -35.59 81.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.167 0.508 . . . . 0.0 110.047 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.25 72.17 0.1 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.982 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.87 108.4 0.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.113 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.0 tt -91.3 -22.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.72 103.16 8.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.16 -10.79 6.19 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -171.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' A' ' 82' ' ' LEU . 13.5 t80 -66.14 115.43 6.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.79 -152.19 10.57 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -75.04 13.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.009 0.433 . . . . 0.0 111.539 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -99.75 -40.23 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -119.8 -13.75 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.68 98.02 3.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.727 0.298 . . . . 0.0 110.75 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.435 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 4.0 m -136.93 144.29 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 21.0 p -97.79 115.84 28.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 171.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -75.31 51.92 0.58 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.447 0.641 . . . . 0.0 110.228 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.708 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 74.6 m -100.03 -179.37 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.885 -172.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.45 -170.31 41.57 Favored Glycine 0 N--CA 1.44 -1.043 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.23 149.92 23.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.021 0.41 . . . . 0.0 110.054 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.69 62.28 4.16 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.014 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.971 -178.633 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.07 122.32 46.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -142.25 143.22 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.295 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 -169.45 19.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.086 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -67.41 140.69 53.48 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 111.416 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.64 ' HA ' ' OE2' ' A' ' 10' ' ' GLU . 60.4 pttt -61.34 119.37 8.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.86 0.838 . . . . 0.0 111.585 -173.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 20.4 m -95.4 -177.91 4.25 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.635 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -59.62 -25.21 64.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.849 -0.159 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.02 -38.58 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.298 177.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.64 ' OE2' ' HA ' ' A' ' 6' ' ' LYS . 22.0 mt-10 -72.57 -28.11 62.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.007 0.432 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 7' ' ' SER . 75.2 mt -73.84 -33.48 64.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.0 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.0 tp -71.13 -32.02 68.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 49.3 mtt180 -56.65 -34.14 67.02 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.77 -24.7 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.861 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.996 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 74.5 mt -102.5 175.02 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 112.019 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.0 p -96.12 -176.78 3.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.288 171.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.6 -36.21 65.48 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.299 0.571 . . . . 0.0 110.732 -169.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -65.9 -43.82 87.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.334 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 94.3 mt-30 -66.45 -36.15 82.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.608 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 87.5 mttt -62.25 -31.11 71.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.084 0.469 . . . . 0.0 110.462 176.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -70.52 -37.49 74.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.106 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 38.5 m80 -70.49 -29.71 66.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.109 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD11 HD23 ' A' ' 12' ' ' LEU . 15.4 mt -61.3 -49.3 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 173.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.74 -47.18 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.62 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -59.73 -50.95 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.694 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.89 -35.55 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -55.45 -49.62 71.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.385 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -77.99 -30.09 49.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.752 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.54 -51.86 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.519 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.57 -38.01 77.2 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.125 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.2 -1.08 61.34 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.586 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -132.07 115.52 15.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 1.5 m-20 -63.76 -21.28 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.047 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.55 -47.71 33.15 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.751 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.66 -37.77 70.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.324 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' HD22 ' A' ' 24' ' ' LEU . 58.3 t80 -65.72 -35.46 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 20.4 t70 -58.45 -39.07 78.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.141 0.496 . . . . 0.0 110.902 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.85 -32.27 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.256 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE2' HG23 ' A' ' 48' ' ' ILE . 72.0 t80 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.13 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 41' ' ' LEU . 2.6 mm? -70.41 -27.16 64.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.22 3.24 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.15 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.17 -177.3 4.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 39.2 t0 -68.59 129.33 39.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.61 174.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -52.79 -35.64 57.03 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.215 0.322 . . . . 0.0 110.789 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -64.96 -39.48 93.55 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.044 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 38.0 mttp -76.45 -38.36 55.54 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.305 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.616 HG23 ' CE2' ' A' ' 40' ' ' PHE . 73.4 mt -59.63 -55.16 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.005 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HE2' HD23 ' A' ' 16' ' ' LEU . 96.5 mttt -65.54 -31.74 72.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.62 -177.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -72.54 -39.46 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.21 -47.9 84.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 177.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.67 -42.94 97.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.074 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 9.1 t70 -69.75 -27.71 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -177.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.38 -47.65 69.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.464 HG22 HD22 ' A' ' 59' ' ' LEU . 76.6 mt -53.6 -43.38 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.676 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 80.6 tttt -56.56 -48.74 76.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.259 176.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.9 m -64.92 -44.35 89.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 37.1 mm-40 -61.7 -41.46 97.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD22 HG22 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -61.64 -29.81 70.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.557 178.368 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -74.33 -22.51 59.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.667 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 46.4 mtpt -73.41 -27.45 61.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.664 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 5.9 m -98.07 100.85 12.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -139.83 24.41 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.658 0.266 . . . . 0.0 111.617 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.22 -152.22 28.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.568 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -78.25 -16.19 58.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.637 0.732 . . . . 0.0 109.652 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.0 p-10 -98.81 9.93 42.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.126 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.21 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.981 0.419 . . . . 0.0 111.707 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.88 -34.13 74.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.43 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -72.77 -39.05 67.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.2 mm100 -68.41 -33.53 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.465 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.68 -33.98 68.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.257 0.551 . . . . 0.0 110.149 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.546 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 34.8 m -79.45 -40.69 29.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.009 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.5 m -69.18 -32.25 71.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.113 0.483 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.6 t80 -65.28 -24.01 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.971 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' A' ' 72' ' ' THR . 94.9 mttt -59.59 -39.28 83.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.319 0.581 . . . . 0.0 110.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -71.23 -35.5 71.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.201 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.1 m -60.35 -47.67 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.55 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 74' ' ' PHE . 56.8 t -64.87 -35.62 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.079 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -54.92 -37.27 66.17 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 111.165 175.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.72 -20.32 51.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.67 -40.97 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.658 0.266 . . . . 0.0 111.466 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.1 mt -91.6 36.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.447 . . . . 0.0 110.428 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -77.37 38.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.841 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.13 -11.81 10.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.822 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.27 129.5 6.1 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.779 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.54 -26.42 3.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.865 0.364 . . . . 0.0 110.799 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.84 -16.89 60.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.613 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.21 10.65 54.85 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -85.94 121.64 28.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.004 0.43 . . . . 0.0 109.967 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.11 -148.84 15.3 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.327 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 t -68.37 -1.38 6.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -81.57 -26.87 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -146.3 -21.33 0.44 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -129.61 104.67 7.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.53 143.46 36.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.664 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 8.7 p -79.95 101.38 8.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.571 0.701 . . . . 0.0 110.432 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.6 t -78.62 35.44 0.24 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.951 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.7 m -78.76 -47.48 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.214 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.2 115.36 0.42 Allowed Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -141.9 135.64 29.67 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.803 0.335 . . . . 0.0 110.114 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.3 60.88 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.861 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.23 178.561 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.57 -69.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.669 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.23 -5.62 13.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.48 -130.89 3.28 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.153 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -84.56 175.84 6.76 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.229 2.619 . . . . 0.0 112.086 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -62.44 136.07 57.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.595 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -115.43 -169.43 1.57 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.22 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.568 ' HG3' ' OD2' ' A' ' 38' ' ' ASP . 27.6 mmtp -47.36 -45.69 25.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.199 0.523 . . . . 0.0 111.042 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HA ' HD11 ' A' ' 41' ' ' LEU . 7.2 pt-20 -58.03 -45.11 87.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.417 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 3.6 mm-40 -67.8 -38.15 82.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -175.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 68.0 mt -59.9 -36.43 76.96 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.47 0.481 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.891 HD21 HG21 ' A' ' 48' ' ' ILE . 52.4 tp -83.42 -36.94 23.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.791 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.581 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 20.1 mtp180 -60.23 -24.55 64.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.26 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.0 mt-10 -58.5 -35.84 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.405 0.621 . . . . 0.0 110.113 173.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -103.1 11.77 36.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.292 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 89.9 mt -117.9 166.26 12.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.628 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 52.5 p -87.95 175.59 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.23 -36.24 83.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 110.012 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.53 -54.15 47.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.2 mt-30 -65.18 -31.53 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.959 -173.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 17' ' ' SER . 89.5 mttt -65.5 -38.06 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.6 m -70.67 -36.1 73.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -71.44 -20.98 62.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 24' ' ' LEU . 15.6 mt -70.68 -44.31 67.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.08 -34.58 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.062 0.458 . . . . 0.0 110.07 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.64 -47.79 77.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.337 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG11 ' A' ' 78' ' ' VAL . 3.4 mt -63.6 -33.02 74.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.288 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.23 -40.9 78.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.567 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.44 -35.46 46.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.732 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -56.41 -56.79 16.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 4.0 mm? -64.27 -38.07 89.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.327 173.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.75 24.42 75.49 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -159.76 124.0 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.9 -32.51 73.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.998 0.427 . . . . 0.0 110.028 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.98 -36.56 91.16 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 178.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -79.29 -33.88 42.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' O ' HD23 ' A' ' 41' ' ' LEU . 21.8 t80 -69.3 -35.29 75.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.568 ' OD2' ' HG3' ' A' ' 8' ' ' LYS . 25.0 t70 -50.04 -42.51 49.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.19 174.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.611 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.5 tpmt? -52.12 -34.45 44.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.65 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.536 ' CE1' HG23 ' A' ' 48' ' ' ILE . 88.0 t80 -73.52 -39.13 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.339 0.59 . . . . 0.0 110.246 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.8 mm? -66.03 -26.63 67.61 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.953 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.69 37.16 3.38 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.759 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -117.92 -174.29 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.234 0.54 . . . . 0.0 111.007 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 48' ' ' ILE . 33.3 t70 -74.29 135.44 42.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.512 178.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -55.66 -41.33 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.142 0.276 . . . . 0.0 111.436 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 19.1 m -69.36 -27.52 65.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.649 0.261 . . . . 0.0 110.385 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.63 -39.86 21.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.062 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.891 HG21 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -61.44 -50.61 79.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.536 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.42 -35.42 79.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.7 m -69.48 -42.13 75.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.582 176.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.8 -47.58 84.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.25 -39.61 89.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -46.78 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.338 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 51' ' ' ALA . 73.6 mt -54.05 -49.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.162 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.36 -47.63 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.957 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -56.8 -55.54 33.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.794 -176.659 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.602 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 70.7 mm-40 -58.65 -49.57 77.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.215 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 71' ' ' LYS . 10.4 tp -65.61 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.163 -174.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.84 -25.4 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.901 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.602 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 7.7 mtmp? -79.03 -2.56 40.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 83.0 m -84.57 89.42 7.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.699 0.762 . . . . 0.0 111.143 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -137.77 100.89 4.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.824 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.23 -152.19 11.83 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.381 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -77.26 -40.37 44.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.852 0.358 . . . . 0.0 111.522 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -103.76 29.13 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.493 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.4 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.648 0.261 . . . . 0.0 111.421 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.12 -38.97 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.417 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -72.53 -42.5 64.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.1 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.87 -40.43 95.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.964 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' HA ' HD11 ' A' ' 59' ' ' LEU . 99.7 mttt -66.26 -19.83 65.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.469 . . . . 0.0 110.875 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 m -88.83 -44.05 10.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -69.85 -28.5 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.371 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 59' ' ' LEU . 5.1 t80 -59.25 -27.76 66.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.577 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 95.5 mttt -58.24 -44.53 88.33 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 89.6 mt-30 -70.71 -35.0 72.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -59.62 -46.59 88.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 27' ' ' LEU . 58.0 t -67.43 -33.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 8.8 mm-40 -54.72 -50.28 68.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.873 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.65 -19.87 75.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.938 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 94' ' ' ALA . . . -75.86 -39.31 56.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.4 mt -78.26 -5.83 53.17 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.546 0.689 . . . . 0.0 110.252 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -82.97 58.91 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.605 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -14.02 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.436 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.36 142.96 7.14 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -68.16 -24.64 30.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.236 0.541 . . . . 0.0 110.232 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.62 95.99 7.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.5 -11.5 6.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -63.89 116.5 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.05 -160.25 23.17 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.889 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.471 ' HA ' HG13 ' A' ' 95' ' ' VAL . 13.7 p -68.59 -5.37 19.51 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -85.64 -9.85 56.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.398 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -148.33 -32.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.736 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . . . -115.96 102.26 9.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 111.079 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' ' 91' ' ' SER . 2.7 m -136.58 154.54 32.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.142 0.496 . . . . 0.0 111.344 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.552 ' C ' ' H ' ' A' ' 98' ' ' CYS . 40.7 p -97.52 125.8 42.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 165.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -74.03 30.74 0.08 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.826 0.822 . . . . 0.0 110.371 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' CYS . 92.3 m -82.43 91.49 6.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.928 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.45 35.45 0.59 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -91.21 154.2 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.204 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.33 -98.84 0.15 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.422 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.185 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.16 10.6 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.5 mtm -86.63 -7.44 58.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.52 179.39 17.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.599 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -83.46 -163.92 0.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.838 2.359 . . . . 0.0 112.26 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -58.87 122.27 13.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.271 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -75.17 160.54 30.29 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.186 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 67.4 mttm -59.07 -37.95 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HA ' HD22 ' A' ' 41' ' ' LEU . 7.6 pt-20 -62.87 -32.95 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.708 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 44.4 mt-10 -72.14 -55.51 7.18 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.336 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 75.0 mt -58.58 -38.77 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.129 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.495 HD21 HG21 ' A' ' 48' ' ' ILE . 61.3 tp -69.76 -37.26 76.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.023 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.566 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.6 ptm180 -77.87 -14.55 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.815 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.7 mt-10 -70.58 -25.38 63.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.466 0.65 . . . . 0.0 109.332 173.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.981 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 13' ' ' ARG . 93.9 mt -107.36 155.46 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.002 -175.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.1 p -79.21 178.81 7.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.34 -37.2 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.25 0.547 . . . . 0.0 110.215 -169.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -64.5 -45.69 86.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.39 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.1 mm100 -65.4 -32.26 73.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.667 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 17' ' ' SER . 98.2 mttt -63.91 -35.64 81.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.098 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.6 m -66.67 -48.62 68.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.2 m80 -70.67 -21.4 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.062 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.19 -51.57 65.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.436 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.4 t70 -65.25 -38.92 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.517 177.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 88.9 t90 -58.25 -44.2 88.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.608 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.04 -30.73 71.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE3' ' CD1' ' A' ' 37' ' ' PHE . 2.9 ttmt -60.83 -48.11 83.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.307 175.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.77 -38.36 88.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.24 -49.1 75.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.409 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.487 HD23 ' HG2' ' A' ' 79' ' ' GLN . 90.3 mt -74.87 -30.58 61.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.87 -61.22 4.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.42 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.448 HD22 ' HG2' ' A' ' 36' ' ' GLU . 44.3 t30 -80.29 126.42 31.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.78 -34.15 71.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.198 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.26 99.59 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.602 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HG2' HD22 ' A' ' 33' ' ' ASN . 13.2 mm-40 -75.62 -28.14 58.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 40.8 t80 -73.44 -36.7 65.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.874 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.3 t70 -57.9 -37.73 74.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.121 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 4.4 tppp? -50.0 -46.92 53.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.642 176.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 84.4 t80 -67.99 -33.32 74.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 38' ' ' ASP . 56.5 mt -74.69 2.83 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.005 -175.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.96 36.48 2.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.196 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 16.1 m-85 -112.61 -177.73 3.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.272 0.558 . . . . 0.0 112.267 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.545 ' O ' HG13 ' A' ' 48' ' ' ILE . 23.4 t70 -66.14 131.69 46.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.354 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 12.1 mt-10 -55.54 -38.93 69.92 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 111.61 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -72.97 -34.05 66.24 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.288 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.554 ' HD3' HG23 ' A' ' 86' ' ' ILE . 64.0 mttp -70.95 -39.5 72.57 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 44' ' ' ASP . 59.7 mt -60.1 -50.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.346 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 33.4 mmtp -57.24 -47.27 81.77 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.559 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.3 m -58.23 -46.13 86.47 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.75 -50.66 73.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.56 -47.31 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.555 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.57 -38.01 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.049 0.452 . . . . 0.0 110.77 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.49 -47.69 77.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.196 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG23 ' HE2' ' A' ' 74' ' ' PHE . 87.0 mt -54.18 -45.33 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.107 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.2 -45.16 91.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.0 p -66.36 -44.86 82.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.71 ' HB3' HG23 ' A' ' 96' ' ' THR . 62.1 mm-40 -62.24 -43.57 98.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.406 . . . . 0.0 111.016 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.76 -25.75 68.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.36 -17.05 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.37 -36.59 39.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 8.3 m -90.88 83.05 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 -171.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.21 80.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.126 0.488 . . . . 0.0 110.704 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.5 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -143.37 -149.86 5.18 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 173.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.66 -27.17 67.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.488 . . . . 0.0 111.016 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.11 20.08 19.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.395 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -58.93 -54.7 44.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.979 0.419 . . . . 0.0 110.986 -173.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.51 -38.47 81.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.015 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -71.63 -46.35 59.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.392 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.62 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 87.0 mm-40 -63.76 -41.24 98.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.174 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 65.2 mttm -59.9 -43.16 94.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.097 0.475 . . . . 0.0 110.087 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.533 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 64.5 m -70.28 -27.67 64.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 m -74.28 -37.61 63.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.126 176.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.6 t80 -63.12 -30.95 72.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.453 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 92.5 mttt -53.9 -42.11 68.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.166 0.508 . . . . 0.0 110.426 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -74.43 -34.25 63.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.382 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.3 m -62.87 -49.05 76.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.0 t -64.39 -36.47 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.495 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HG2' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.44 -38.46 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.156 0.503 . . . . 0.0 110.894 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.96 6.23 82.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.767 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -97.34 -49.79 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.839 0.319 . . . . 0.0 111.453 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.575 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.3 mm? -86.21 9.4 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.439 . . . . 0.0 111.677 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -67.64 -34.8 77.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.388 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.71 30.15 4.27 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.347 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.67 169.73 12.72 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.888 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG23 ' HD3' ' A' ' 47' ' ' LYS . 15.0 tt -118.58 -2.48 9.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.496 0.665 . . . . 0.0 109.932 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.46 -40.63 85.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.422 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.66 25.3 28.54 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.291 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.539 ' CE2' HD21 ' A' ' 82' ' ' LEU . 13.2 t80 -83.78 126.88 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.22 -149.58 15.74 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.577 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -72.91 -0.99 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.031 0.443 . . . . 0.0 110.747 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.81 -29.13 24.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.984 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -134.0 -33.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.71 94.07 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.38 142.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' ' 58' ' ' GLU . 6.6 p -73.64 108.4 6.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.157 0.503 . . . . 0.0 110.764 172.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 p -74.44 61.11 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.624 172.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 62.9 m -109.51 50.13 0.8 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.833 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.02 46.15 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -174.69 124.35 0.28 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.867 -0.666 . . . . 0.0 110.155 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.81 -41.74 10.49 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.422 171.595 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.04 -78.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.625 0.25 . . . . 0.0 110.454 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -94.02 -30.12 14.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 0.0 109.983 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.05 -155.12 26.15 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.714 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.59 -160.61 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.955 2.437 . . . . 0.0 112.401 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -56.61 140.35 47.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.071 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -92.63 178.25 5.86 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.996 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -62.82 -29.09 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.263 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.2 pt-20 -65.16 -39.97 93.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 2.0 mp0 -57.55 -35.47 70.38 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 110.637 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 mt -79.36 -42.38 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.326 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.742 HD21 HG21 ' A' ' 48' ' ' ILE . 61.6 tp -66.75 -40.34 88.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.614 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 23.0 mtp180 -61.46 -27.36 68.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.026 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 42.6 mt-10 -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -98.49 -5.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 97.4 mt -92.1 164.53 13.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.383 . . . . 0.0 111.079 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.602 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 55.0 p -85.89 178.7 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.035 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -58.61 -48.4 81.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.204 0.526 . . . . 0.0 110.751 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.28 -52.76 64.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.208 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 94.9 mttt -66.89 -46.11 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -77.15 -35.96 55.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -66.7 -23.9 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.384 . . . . 0.0 110.76 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 25.0 tp -69.97 -38.78 76.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.694 177.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.97 -48.21 82.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 172.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -53.56 -47.53 69.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.195 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 31' ' ' LEU . 52.4 tp -58.06 -49.37 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.586 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 23.6 ttpt -56.5 -49.95 73.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.351 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.96 -34.72 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.937 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 -55.6 19.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.91 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 mp -60.84 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.71 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 -63.2 2.39 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.666 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -77.51 132.3 38.32 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.824 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -59.04 -33.75 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.195 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.69 -36.85 93.86 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.691 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.79 -39.99 29.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.995 0.426 . . . . 0.0 110.106 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 28' ' ' LYS . 20.1 t80 -64.37 -34.74 78.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.665 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.47 -50.53 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.556 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.15 -39.74 66.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.384 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 79.8 t80 -68.57 -40.87 80.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.145 0.498 . . . . 0.0 111.273 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 67.9 mt -65.75 -19.09 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.788 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.55 31.25 8.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.023 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 14.0 m-85 -103.0 -177.62 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.208 0.528 . . . . 0.0 111.728 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.64 133.43 49.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.041 175.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -57.34 -42.23 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -62.49 -23.75 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.17 -40.93 11.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.742 HG21 HD21 ' A' ' 12' ' ' LEU . 79.4 mt -60.75 -53.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.351 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.1 -38.26 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.212 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.4 m -67.29 -40.52 86.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.618 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.7 -47.94 83.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.762 0.315 . . . . 0.0 110.664 177.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.53 -43.14 94.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.31 -29.12 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 0.0 111.063 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.84 -43.08 80.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 51' ' ' ALA . 86.3 mt -54.35 -49.02 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.412 0.625 . . . . 0.0 109.758 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -56.74 -39.36 73.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.176 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 m -63.69 -46.43 85.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.976 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.74 -40.76 72.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.473 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.69 -25.26 67.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.7 -25.57 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.506 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -74.9 -29.37 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.708 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 3.2 m -109.76 93.55 4.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.533 -173.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 63.3 m-80 -142.24 29.47 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.05 -131.55 7.35 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.389 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -82.21 -6.34 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.845 0.831 . . . . 0.0 109.523 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -98.32 -6.58 30.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.502 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . . . -55.94 -61.84 2.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.067 -166.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.58 -31.05 71.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.415 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -78.96 -46.83 17.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.194 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.43 -35.94 80.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.5 mttm -65.17 -24.39 67.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -83.29 -39.06 21.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.659 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 m -68.65 -36.71 78.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -64.14 -27.55 69.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.76 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 95.0 mttt -55.83 -42.77 76.24 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.133 0.492 . . . . 0.0 110.77 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -70.9 -35.32 72.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.858 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.8 m -66.07 -54.48 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.928 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.52 -36.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 13.1 tm0? -48.78 -48.63 41.03 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.17 -18.63 79.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.567 -176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -70.05 -57.15 5.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.766 0.317 . . . . 0.0 111.44 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.9 mm? -79.76 -5.7 55.83 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.195 0.521 . . . . 0.0 112.133 -173.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.506 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -41.76 7.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.306 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.2 143.45 3.73 Favored Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.61 -12.66 10.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.516 0.674 . . . . 0.0 109.623 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.29 -21.63 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.529 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.06 25.78 7.73 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.087 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HD21 ' A' ' 82' ' ' LEU . 23.7 t80 -81.23 136.59 35.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.403 0.62 . . . . 0.0 109.758 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -153.74 24.97 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.929 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -69.97 -2.48 12.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 0.0 110.706 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -70.63 -39.75 73.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.542 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -116.53 -58.3 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.938 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.78 96.97 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.86 136.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.017 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 2.2 p -79.6 103.84 9.79 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.894 175.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -71.39 65.28 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.53 0.681 . . . . 0.0 110.955 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.7 m -117.17 98.4 6.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.179 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.72 151.82 21.42 Favored Glycine 0 N--CA 1.44 -1.079 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.27 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -127.19 146.59 50.35 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.506 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.79 47.79 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.442 -177.61 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.6 -169.6 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt -75.28 -15.94 60.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.026 0.441 . . . . 0.0 110.456 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.28 -127.5 5.32 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.89 158.63 42.48 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.69 2.26 . . . . 0.0 110.997 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HE3' ' HB3' ' A' ' 10' ' ' GLU . 13.9 ptmt -73.55 136.58 44.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.352 0.596 . . . . 0.0 111.498 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -118.14 -163.08 0.92 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.546 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -51.85 -44.51 63.67 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 123.529 0.518 . . . . 0.0 111.067 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 7.9 pt-20 -58.24 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 1.8 tm-20 -77.86 -45.85 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.941 -178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 31.2 mt -64.82 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.537 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 48' ' ' ILE . 61.6 tp -71.17 -42.46 69.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.15 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.607 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptp180 -67.99 -16.9 64.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.807 -177.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.6 mt-10 -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.133 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 6.1 mtpm? -91.51 -6.5 52.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.408 -177.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.0 mt -90.5 155.8 18.64 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.376 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.8 t -73.5 164.84 26.11 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.37 -27.36 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.118 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.81 -27.83 66.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.424 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 46.0 mt-30 -84.53 -30.84 24.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.2 mttt -61.63 -35.91 79.26 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.899 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -63.02 -40.64 98.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.049 0.452 . . . . 0.0 111.286 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.514 ' CD2' HD12 ' A' ' 59' ' ' LEU . 59.1 m80 -80.43 -17.17 52.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 35.3 tp -65.89 -49.8 66.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.35 -31.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 90.5 t90 -60.65 -43.99 96.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.935 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.99 -32.2 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.13 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.175 0.512 . . . . 0.0 110.234 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.69 -36.91 79.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.77 80.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 37' ' ' PHE . 72.5 mt -73.87 -29.4 62.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.693 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.63 5.61 64.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.54 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -144.2 119.33 10.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.33 -23.0 66.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -72.76 -39.88 54.21 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.275 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.726 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 44.7 mt-10 -79.95 -27.92 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.306 0.574 . . . . 0.0 110.036 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' A' ' 31' ' ' LEU . 33.7 t80 -69.36 -26.15 64.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.47 0.652 . . . . 0.0 109.785 173.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.493 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.4 t70 -61.29 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.313 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 ptmt -56.51 -35.89 68.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.063 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.447 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.3 t80 -69.24 -35.07 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.197 0.522 . . . . 0.0 110.347 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 50.9 mt -73.02 -7.0 49.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.505 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.58 10.48 42.04 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.125 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 13.1 m-85 -89.5 178.22 6.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.905 0.383 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' HG13 ' A' ' 48' ' ' ILE . 15.5 t70 -71.52 141.39 50.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CD ' ' HZ2' ' A' ' 15' ' ' LYS . 2.4 mt-10 -56.14 -38.44 70.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.257 0.348 . . . . 0.0 111.241 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.9 m -67.49 -32.28 72.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.458 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 62.6 mttm -79.58 -40.9 28.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG21 HD21 ' A' ' 12' ' ' LEU . 78.7 mt -59.78 -51.66 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.847 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.51 -39.08 92.37 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.809 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.8 m -61.2 -44.12 97.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.565 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.45 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.38 -53.07 58.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.17 -42.25 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.728 -176.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.31 -33.6 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 109.982 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.83 -48.08 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.894 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 51' ' ' ALA . 82.8 mt -53.07 -46.83 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 175.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 15.2 ttpt -57.62 -45.06 85.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.145 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 96' ' ' THR . 53.4 mm-40 -65.59 -46.54 79.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD12 ' CD2' ' A' ' 23' ' ' HIS . 48.4 mt -64.2 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.59 0.233 . . . . 0.0 111.506 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.92 -22.55 66.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.38 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -74.8 -17.11 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 1.2 m -117.91 93.61 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.572 . . . . 0.0 111.779 -175.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -126.26 93.92 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.771 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.6 -170.98 44.15 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.746 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -73.68 -55.54 6.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.432 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.16 -28.68 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.504 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -62.73 -27.02 68.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.536 -177.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.69 -44.08 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.371 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.95 -39.44 93.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.393 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -61.13 -43.64 98.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.45 -36.37 76.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.6 m -66.24 -37.79 86.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.495 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -69.94 -31.52 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 78' ' ' VAL . 30.3 t80 -64.33 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.257 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.83 -38.43 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 79' ' ' GLN . 45.2 mt-30 -77.93 -28.71 49.71 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.636 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -65.01 -47.44 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.754 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 74' ' ' PHE . 82.7 t -62.15 -35.07 66.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.25 174.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 5.1 mm-40 -56.09 -36.75 68.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.305 174.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.09 -0.05 88.9 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.381 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.547 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -94.69 -65.65 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.577 0.227 . . . . 0.0 111.524 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' H ' HD22 ' A' ' 82' ' ' LEU . 2.1 mm? -75.85 -1.78 26.93 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -75.95 -38.08 57.94 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.564 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.42 -38.69 7.58 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.07 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.64 152.85 7.05 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.973 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.06 -20.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.044 0.45 . . . . 0.0 110.564 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.89 -10.35 59.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.0 109.863 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.11 10.59 43.92 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.387 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CE2' HD21 ' A' ' 82' ' ' LEU . 21.4 t80 -81.46 120.58 25.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 -161.96 25.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.212 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 95' ' ' VAL . 26.7 p -73.78 -2.84 25.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 111.516 -177.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.21 -36.82 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.518 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -121.21 -13.34 8.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.02 104.74 5.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 111.338 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 91' ' ' SER . 3.2 m -146.09 153.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.546 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.729 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 18.6 p -101.27 113.35 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 110.487 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 p -76.9 53.44 0.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.467 0.651 . . . . 0.0 111.069 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.729 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 63.3 m -81.52 48.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.841 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.48 64.99 1.28 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -76.53 135.12 39.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.293 0.568 . . . . 0.0 111.067 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 156.08 167.14 17.03 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.432 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.933 179.414 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.985 -0.446 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.26 -69.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.769 0.318 . . . . 0.0 110.561 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.16 111.59 22.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.23 -152.9 17.07 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.625 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -85.3 170.32 9.44 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.953 2.435 . . . . 0.0 111.814 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -65.63 134.53 53.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 13.6 p -95.99 -173.53 2.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.242 -169.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.61 -39.4 73.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 10' ' ' GLU . 4.5 pm0 -64.03 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.212 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 35.3 mt-10 -72.0 -28.96 63.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 120.699 0.285 . . . . 0.0 110.805 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 56.8 mt -76.09 -38.44 56.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 175.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 48' ' ' ILE . 65.7 tp -68.65 -41.19 79.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.172 -178.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.548 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.6 -16.37 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.504 -177.279 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.4 mt-10 -72.35 -29.83 64.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -98.22 2.95 48.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.931 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 57.7 mt -96.85 172.41 7.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.617 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.4 m -80.84 170.9 15.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.458 173.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.94 -36.9 85.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.309 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 -48.23 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.769 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm100 -58.38 -32.76 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.585 -177.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.4 mttt -58.18 -41.47 83.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.106 0.479 . . . . 0.0 111.034 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -71.92 -40.46 68.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.777 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 39.4 m80 -70.3 -28.34 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.15 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -51.96 65.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.279 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 22.7 t70 -70.23 -30.58 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.171 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -56.65 -46.98 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 174.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.474 HD13 HG11 ' A' ' 78' ' ' VAL . 43.5 tp -62.71 -36.43 82.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.516 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 35.4 ttmt -58.41 -47.33 84.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.159 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 37.0 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.686 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.91 91.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.865 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.38 -45.65 30.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.57 12.55 83.66 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.258 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -139.05 124.18 19.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 5.0 p-10 -64.79 -36.04 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.66 -42.54 93.27 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 113.042 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -71.62 -39.26 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 110.446 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -69.7 -29.69 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.874 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 15.8 t70 -57.39 -44.47 84.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.878 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -38.39 77.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.024 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.34 -38.04 86.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.546 . . . . 0.0 110.33 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.88 -9.07 57.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.095 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.75 21.63 45.0 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.189 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.94 -177.07 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.269 0.556 . . . . 0.0 111.649 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 50.5 t0 -73.54 129.49 38.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.134 174.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.72 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 5.3 mt-10 -56.19 -34.9 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.093 0.246 . . . . 0.0 110.728 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -59.85 -36.09 76.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.441 0.638 . . . . 0.0 109.865 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 39.2 mttp -81.82 -35.23 29.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.971 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.581 HG21 HD21 ' A' ' 12' ' ' LEU . 80.3 mt -63.63 -47.03 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.733 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 27.9 mmtt -57.86 -44.77 86.8 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.1 m -62.66 -46.34 88.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.948 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.24 78.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.64 -42.06 99.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.193 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -22.83 55.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -73.86 -42.84 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.2 mt -53.98 -51.57 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 68.4 tttt -53.22 -39.77 64.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.822 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 48.0 t -65.27 -54.71 25.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.173 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.605 ' HB3' HG23 ' A' ' 96' ' ' THR . 72.7 mm-40 -64.28 -37.83 88.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.77 -24.93 66.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.114 -0.366 . . . . 0.0 111.075 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 57' ' ' SER . 15.1 t70 -70.59 -27.51 64.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.692 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HE2' ' N ' ' A' ' 61' ' ' LYS . 8.8 mmpt? -69.5 -31.27 69.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 52.5 m -95.99 100.37 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.164 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -144.45 105.05 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 0.0 109.376 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.13 -153.63 24.48 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.902 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.47 -53.04 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.09 14.58 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.409 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.24 -50.0 69.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -170.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 13.3 t70 -59.99 -39.05 84.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 -173.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.95 -36.72 72.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.23 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.15 -36.92 84.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 110.22 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 63.2 mttm -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.805 174.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -68.35 -37.22 80.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.523 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 m -67.28 -33.61 75.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.632 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 t80 -63.02 -27.38 69.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.677 -177.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.548 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 95.0 mttt -54.13 -43.27 70.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.765 175.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -72.13 -30.19 64.79 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.992 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 94' ' ' ALA . 45.7 m -68.61 -45.36 72.13 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.315 176.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG11 HD13 ' A' ' 27' ' ' LEU . 59.5 t -64.27 -33.05 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.879 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.9 mt-30 -53.39 -44.89 69.04 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-O 121.348 0.594 . . . . 0.0 110.258 174.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.47 27.04 16.93 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.441 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.38 -47.61 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.71 0.291 . . . . 0.0 110.938 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.9 mm? -80.19 10.25 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.84 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 t -87.9 -32.59 18.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.839 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.05 78.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.284 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.28 7.94 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -74.94 -19.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 109.829 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.25 -41.79 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.15 5.0 81.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.202 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.435 ' CE1' HD21 ' A' ' 82' ' ' LEU . 28.6 t80 -70.65 121.21 17.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.25 -145.02 8.82 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.28 2.92 16.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.49 0.662 . . . . 0.0 109.956 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.23 -38.74 55.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.409 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.48 -62.7 1.53 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.673 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -82.79 99.8 9.9 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.08 -170.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.448 HG21 ' HA2' ' A' ' 101' ' ' GLY . 2.4 m -136.48 141.28 41.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 177.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 58' ' ' GLU . 12.1 p -85.71 116.62 24.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.194 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 16.8 p -61.95 0.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.694 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.29 -15.74 61.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.047 0.451 . . . . 0.0 109.835 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.9 -57.77 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.402 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 97' ' ' THR . 51.8 t30 -107.03 -164.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.636 -0.332 . . . . 0.0 110.418 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' HA2' HG21 ' A' ' 95' ' ' VAL . . . 104.97 -47.68 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -174.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.87 171.256 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.63 126.44 30.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.98 -23.59 14.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.743 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.31 -121.56 1.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.121 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.25 -177.98 0.57 Allowed 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.663 2.909 . . . . 0.0 112.94 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -84.5 161.69 20.15 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.421 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.413 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 42.5 t -108.42 169.03 8.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.65 -33.04 69.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' HA ' HD22 ' A' ' 41' ' ' LEU . 9.7 pt-20 -61.65 -35.18 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 177.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 12.9 tp10 -72.34 -42.54 65.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.943 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.02 -34.25 74.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.677 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.691 HD21 HG21 ' A' ' 48' ' ' ILE . 60.4 tp -73.32 -43.53 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.474 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.8 ptm180 -63.74 -18.8 64.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.508 -175.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 30.3 mt-10 -64.75 -39.35 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HE3' HD12 ' A' ' 12' ' ' LEU . 39.0 mtmt -85.93 -5.66 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.282 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 13' ' ' ARG . 86.0 mt -93.86 158.05 15.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.207 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.3 p -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.075 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.07 -37.47 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -172.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.54 -41.48 79.78 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.219 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 96.2 mt-30 -70.14 -33.92 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.037 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.1 mttt -60.66 -40.12 90.85 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.278 0.561 . . . . 0.0 110.219 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -67.16 -47.24 71.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 53.9 m80 -72.89 -18.91 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.051 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.2 tm? -63.48 -50.16 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.1 t70 -64.94 -38.7 91.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.465 ' CZ3' HG21 ' A' ' 78' ' ' VAL . 81.1 t90 -59.88 -44.14 94.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.773 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 27' ' ' LEU . 2.3 tt -66.61 -29.16 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 24.1 ttmm -55.19 -47.75 74.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.951 173.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.61 -31.13 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.64 -51.65 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.238 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.05 -29.59 31.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.37 -58.75 3.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.345 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -70.39 123.41 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.452 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.85 -30.59 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.193 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.49 -43.72 96.24 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.998 -0.547 . . . . 0.0 113.101 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 73.7 mm-40 -72.46 -35.66 68.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.054 0.454 . . . . 0.0 111.004 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 60.8 t80 -71.49 -33.82 69.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.677 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 12.6 t70 -55.04 -44.86 75.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.251 172.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 36.3 ttmt -54.01 -44.78 71.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.303 177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 91.9 t80 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.124 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 39.8 mt -71.38 -12.79 61.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.704 -175.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.81 31.05 7.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.652 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 10.3 m-85 -103.21 -178.92 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 111.895 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 47' ' ' LYS . 21.3 t70 -58.56 129.73 43.48 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.924 176.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.38 -39.46 64.24 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -76.38 -31.92 58.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.552 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' HG3' ' OD1' ' A' ' 44' ' ' ASP . 56.1 mttm -74.97 -38.6 61.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.691 HG21 HD21 ' A' ' 12' ' ' LEU . 65.6 mt -59.36 -52.93 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.839 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.8 -44.49 77.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -61.55 -44.97 96.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.096 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.23 -48.17 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.48 -40.1 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.601 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.71 -37.99 79.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.383 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.08 -44.11 91.86 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.111 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.2 mt -53.54 -48.98 57.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.579 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 56' ' ' LYS . 8.0 ttpm? -58.33 -40.82 83.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 m -61.85 -52.89 62.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.279 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.0 mm-40 -65.7 -51.13 61.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.31 -24.19 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.743 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.6 -35.8 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.748 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.63 -27.11 67.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.558 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 23.2 m -91.85 97.75 11.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -145.4 108.84 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.851 0.834 . . . . 0.0 110.016 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.16 -153.43 23.95 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.39 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.37 -33.5 75.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.6 p-10 -89.95 -6.93 55.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.633 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.742 -169.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -59.15 -32.93 70.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.26 0.552 . . . . 0.0 111.079 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -86.59 -40.78 14.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.826 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 13.7 mm100 -63.72 -42.62 97.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.67 -31.39 72.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.954 0.407 . . . . 0.0 110.687 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 74.7 m -77.97 -36.07 49.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.662 177.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -74.75 -27.0 60.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 0.0 111.092 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.437 ' HE2' HG23 ' A' ' 55' ' ' ILE . 20.8 t80 -64.6 -27.0 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.943 0.401 . . . . 0.0 110.08 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.595 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 90.5 mttt -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 24.2 mt-30 -73.28 -25.87 60.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.872 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.2 m -69.1 -45.52 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.846 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG21 ' CZ3' ' A' ' 26' ' ' TRP . 73.7 t -60.99 -25.28 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.122 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 18.5 mm-40 -56.36 -42.56 77.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.394 175.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.9 10.24 73.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.333 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -100.73 -62.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.6 mm? -76.45 -0.63 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 112.12 -174.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -85.07 -16.48 40.5 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.977 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.69 10.65 25.63 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.31 141.21 10.24 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 tt -76.01 -21.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.302 0.572 . . . . 0.0 110.199 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.9 -29.07 70.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.478 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.79 10.93 59.12 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.427 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.528 ' CE2' HD21 ' A' ' 82' ' ' LEU . 17.2 t80 -77.01 119.16 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.07 -155.83 18.98 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.5 p -74.94 9.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.974 0.416 . . . . 0.0 111.29 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -95.43 -10.91 28.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.478 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 31.4 p-10 -151.28 -31.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.657 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.54 99.64 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 0.0 110.656 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 149.81 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.965 0.412 . . . . 0.0 111.793 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.551 HG23 ' HB3' ' A' ' 58' ' ' GLU . 13.3 p -94.51 113.99 25.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.462 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 p -83.32 43.11 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.487 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.82 5.74 45.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.85 95.55 0.31 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.175 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.56 -25.4 16.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.807 0.337 . . . . 0.0 110.671 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.49 -74.94 2.17 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.507 -176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.192 177.203 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.251 0.072 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' HD13 ' A' ' 41' ' ' LEU . 65.1 mttm -52.76 -37.56 59.68 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.637 0.256 . . . . 0.0 111.114 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 14.8 pt-20 -60.5 -30.19 69.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -86.9 -33.17 19.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.336 0.589 . . . . 0.0 111.065 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -77.65 -30.45 52.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.608 HD21 HG21 ' A' ' 48' ' ' ILE . 65.8 tp -82.9 -25.94 31.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 27.7 ttt180 -54.0 -48.56 70.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.08 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -57.99 -40.4 80.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.542 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.517 ' HE3' HD12 ' A' ' 12' ' ' LEU . 38.0 mtmt -80.18 -19.29 47.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.911 0.386 . . . . 0.0 111.661 -175.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 78.0 mt -84.63 166.4 17.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.331 0.586 . . . . 0.0 110.755 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -79.66 166.73 21.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.705 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.665 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.12 -56.04 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.606 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 90.7 mt-30 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.962 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.05 -43.02 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.124 0.487 . . . . 0.0 110.551 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 m -64.94 -39.91 94.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.899 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 61.6 m80 -78.06 -18.73 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.427 -177.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 16' ' ' LEU . 16.4 mt -63.12 -48.75 77.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 171.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 32.2 t70 -63.12 -43.34 98.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.172 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -57.52 -47.98 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.77 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 31' ' ' LEU . 58.9 tp -64.98 -39.82 94.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.143 0.496 . . . . 0.0 110.233 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -61.22 -46.95 88.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.995 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 61.9 mt-10 -53.9 -45.1 71.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.957 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -60.52 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 27' ' ' LEU . 10.1 mp -64.23 -37.29 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.913 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.88 4.0 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.749 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.1 137.7 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.219 0.533 . . . . 0.0 111.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.03 -36.4 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.51 90.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.78 -43.35 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.948 0.404 . . . . 0.0 110.449 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.4 t80 -67.37 -30.91 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.422 ' HA ' HD12 ' A' ' 41' ' ' LEU . 22.1 t70 -58.71 -42.7 89.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.411 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.02 -40.84 74.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.036 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 82.2 t80 -66.72 -39.1 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 62.2 mt -67.05 -21.43 65.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.22 10.01 74.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.008 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 26.9 m-85 -90.57 175.31 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.012 0.434 . . . . 0.0 111.808 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.31 135.22 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.508 175.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.34 -35.85 72.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.933 0.397 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 m -64.2 -25.04 67.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.524 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.12 -41.65 10.36 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.421 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.608 HG21 HD21 ' A' ' 12' ' ' LEU . 77.8 mt -57.55 -51.92 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.635 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.54 -41.41 94.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 m -68.45 -38.95 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.64 -48.93 79.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.369 . . . . 0.0 110.401 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.49 -40.86 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.61 -37.78 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.7 -46.92 80.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.502 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.5 mt -54.99 -44.93 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 26.1 ttpp -58.41 -41.1 84.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.0 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 m -61.33 -51.63 68.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.59 ' HB3' HG23 ' A' ' 96' ' ' THR . 69.5 mm-40 -63.85 -40.67 97.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.358 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.86 -33.09 75.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.728 0.299 . . . . 0.0 111.033 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.82 -24.35 61.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.199 0.523 . . . . 0.0 110.283 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 54.7 mtpt -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.194 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 67' ' ' ALA . 5.2 t -129.41 94.93 3.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -141.72 101.0 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -172.52 -142.79 3.9 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -174.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -79.25 -47.93 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.902 0.351 . . . . 0.0 111.373 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -100.98 15.91 27.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.713 0.292 . . . . 0.0 111.363 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.666 ' HA ' ' SG ' ' A' ' 62' ' ' CYS . . . -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.52 -41.0 65.89 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.329 0.585 . . . . 0.0 111.013 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -71.85 -48.03 48.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.177 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.23 -33.85 76.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.287 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 67.0 mttm -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.056 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 79.0 m -78.19 -41.35 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.795 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -65.59 -34.2 77.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.382 . . . . 0.0 110.962 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 78' ' ' VAL . 11.2 t80 -60.36 -30.07 69.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.61 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' THR . 90.1 mttt -55.25 -43.58 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.63 -37.53 79.79 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.3 m -65.25 -44.17 88.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.301 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 74' ' ' PHE . 96.6 t -66.29 -36.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.421 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.46 -45.55 80.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.902 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.66 4.82 80.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.2 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.28 -36.61 8.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.982 0.42 . . . . 0.0 110.322 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.0 mt -91.56 5.45 49.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.905 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.1 p -69.81 -27.96 65.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.284 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.03 6.93 25.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.85 166.08 10.85 Favored Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.165 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.1 tt -103.98 -1.52 9.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.728 0.775 . . . . 0.0 109.473 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -72.3 -42.98 64.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.414 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.3 28.3 16.51 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.03 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -87.83 119.89 28.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.83 -154.03 14.39 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.157 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 m -71.99 5.32 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.838 -176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -100.94 -5.98 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -147.52 -33.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.668 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.9 107.57 16.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -143.43 149.2 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 58' ' ' GLU . 17.1 p -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.751 172.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 p -73.22 26.69 0.06 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 96' ' ' THR . 7.1 t . . . . . 0 N--CA 1.452 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.0 -46.36 88.36 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 109.993 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.602 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -58.36 -40.18 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.902 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.48 -26.73 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.796 0.331 . . . . 0.0 111.41 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 79.5 mt -87.75 -50.61 6.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.261 0.553 . . . . 0.0 110.451 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.9 tp -73.76 -24.05 59.82 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.593 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.1 ptm180 -59.43 -38.61 81.1 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.255 0.55 . . . . 0.0 109.776 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 13.6 mm-40 -72.36 -20.85 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.772 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HB2' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.34 2.69 39.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 177.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 51.1 mt -107.47 -175.78 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 77.6 p -80.43 167.08 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -65.54 -35.78 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.419 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -77.45 -35.02 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.438 HE22 ' HB3' ' A' ' 49' ' ' LYS . 39.5 mt-30 -57.03 -28.37 62.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.945 0.403 . . . . 0.0 110.71 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.1 mttt -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 m -73.92 -41.4 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 0.0 110.234 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.5 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.9 m80 -76.19 -18.73 58.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 9' ' ' GLU . 2.7 tm? -61.88 -55.25 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.1 -39.49 86.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 89.6 t90 -59.09 -47.25 85.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 30' ' ' ALA . 45.1 tp -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.3 ttmm -60.97 -42.88 99.17 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -69.27 -37.6 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.57 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.9 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.463 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.26 -33.52 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.33 -60.2 3.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.27 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -73.04 117.22 14.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.18 -28.31 69.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.37 93.17 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.297 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.38 -26.45 23.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.39 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' O ' HD23 ' A' ' 41' ' ' LEU . 35.2 t80 -66.05 -38.59 88.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -46.75 -45.22 19.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.973 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -58.18 -28.29 64.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.892 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 86.2 t80 -75.1 -44.91 44.65 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.9 mm? -63.15 -23.85 67.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.653 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.99 27.92 9.43 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.014 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 18.7 m-85 -100.0 -174.29 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.239 0.52 . . . . 0.0 110.96 174.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 48' ' ' ILE . 6.9 t70 -72.26 135.7 46.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 1.9 mt-10 -61.08 -33.06 72.74 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.018 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -69.24 -29.14 67.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.0 109.868 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.34 -30.94 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 44' ' ' ASP . 92.1 mt -62.62 -54.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HB3' HE22 ' A' ' 20' ' ' GLN . 17.8 mttp -59.9 -40.19 87.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.77 -0.195 . . . . 0.0 111.171 177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.7 m -61.69 -44.16 97.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.581 0.229 . . . . 0.0 111.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.23 -50.37 74.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.44 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.82 -40.74 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.221 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.08 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.765 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.78 -46.47 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.187 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.0 mt -54.33 -47.17 69.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.78 174.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -56.1 -44.78 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.001 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.8 m -61.11 -47.79 84.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -73.0 -47.75 42.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 111.201 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' HD2' ' A' ' 74' ' ' PHE . 14.0 tp -65.95 -20.38 66.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.574 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.86 -21.96 50.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -66.48 -34.89 78.94 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.471 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 24.4 m -80.92 110.05 16.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 -175.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -138.07 100.49 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.05 -167.62 38.47 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.539 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -76.33 -44.07 38.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.163 0.506 . . . . 0.0 110.235 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.77 -18.74 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.492 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -60.01 -25.96 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.724 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.88 -38.39 85.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.399 0.618 . . . . 0.0 110.078 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.44 -30.33 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.46 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.71 -45.73 92.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.981 0.42 . . . . 0.0 110.167 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 97.4 mttt -67.54 -20.32 65.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.975 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.451 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 90.3 m -86.39 -33.34 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.364 176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.434 ' HA ' HE21 ' A' ' 76' ' ' GLN . 56.9 m -72.68 -35.06 67.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 177.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' HD2' HD13 ' A' ' 59' ' ' LEU . 17.9 t80 -61.18 -28.42 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.207 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 91.7 mttt -58.35 -38.04 76.39 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.643 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.434 HE21 ' HA ' ' A' ' 73' ' ' THR . 49.8 mt-30 -72.47 -31.98 65.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.697 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.2 m -64.24 -44.4 91.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.97 -29.45 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.255 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.3 mt-30 -53.39 -51.6 62.0 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.51 -24.41 60.79 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.015 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.03 -49.78 54.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.595 0.236 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.53 -0.93 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 111.376 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -89.69 -14.89 33.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.835 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.51 10.96 56.52 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.552 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.32 144.3 10.98 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.567 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -84.61 -9.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.443 0.639 . . . . 0.0 110.322 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.66 -40.75 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.716 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.73 15.42 62.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.288 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -75.66 117.8 17.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.457 . . . . 0.0 109.803 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.53 -162.2 24.29 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.1 m -71.38 -6.07 37.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 111.371 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -75.09 -30.33 60.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.44 0.638 . . . . 0.0 109.345 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.51 -55.66 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.161 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.13 116.32 28.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.477 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.46 149.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.974 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.471 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 4.8 p -92.25 109.44 20.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.22 0.533 . . . . 0.0 111.18 174.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 p -82.05 60.96 5.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.756 177.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 N--CA 1.445 -0.685 0 CA-C-O 120.66 0.267 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -43.28 -50.68 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.335 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.73 -26.48 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.742 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.436 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 9.7 mp0 -69.24 -45.73 69.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.022 0.439 . . . . 0.0 110.16 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.2 -36.55 84.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.401 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.5 tp -76.77 -36.82 56.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.835 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HA ' HD12 ' A' ' 16' ' ' LEU . 6.1 ptp180 -68.69 -18.68 64.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.082 -174.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.49 -28.03 68.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -86.95 1.59 52.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.369 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.603 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 76.8 mt -116.26 158.2 23.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.475 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.2 m -77.2 174.22 10.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.283 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 43.2 mt-10 -58.99 -36.81 75.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 110.228 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -66.27 -52.12 50.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.836 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.603 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 47.3 mt-30 -67.03 -27.19 67.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.324 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 18' ' ' GLU . 61.9 mttm -60.67 -38.67 85.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 110.071 174.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -80.64 -39.89 26.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.978 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -66.59 -26.62 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.88 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.94 -44.84 91.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.205 0.526 . . . . 0.0 109.827 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.83 -39.34 83.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.941 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.51 -41.39 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.739 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -58.54 -49.09 78.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.92 -33.59 76.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.355 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.44 60.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.547 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 93.2 mt -68.08 -49.02 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.712 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.36 36.27 91.4 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.327 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 45.8 t-20 -150.27 130.25 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -56.93 -54.67 43.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.88 94.41 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.599 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 33' ' ' ASN . 53.4 mt-10 -70.88 -38.33 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.033 0.417 . . . . 0.0 111.363 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 38.9 t80 -72.1 -37.2 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 109.805 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 41' ' ' LEU . 28.1 t70 -57.55 -42.92 83.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.653 176.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 18.4 tptp -60.27 -33.08 71.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.437 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.733 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 74.3 t80 -71.68 -39.02 70.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 110.17 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 53.0 mt -64.99 -17.17 64.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.945 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.37 24.51 22.34 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.567 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.733 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 4.0 m-85 -89.28 -176.94 5.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.541 ' O ' HG13 ' A' ' 48' ' ' ILE . 8.8 t0 -67.94 130.14 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.216 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.54 -35.56 63.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.281 0.363 . . . . 0.0 111.446 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.415 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 2.4 m -67.82 -40.38 83.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.89 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 62.5 mttp -74.25 -36.5 63.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 44' ' ' ASP . 74.2 mt -56.64 -57.44 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.277 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 m -60.97 -45.69 93.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.68 75.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.21 -41.16 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.642 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 39.0 t70 -70.93 -34.35 71.42 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.651 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.42 -49.8 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.72 -49.74 55.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.11 173.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 24.5 tttm -53.94 -42.92 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.514 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 51.7 m -68.57 -51.5 42.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.347 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.521 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.1 mm-40 -61.65 -51.64 67.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 111.392 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 74' ' ' PHE . 38.9 tp -59.45 -29.98 68.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.134 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 57' ' ' SER . 99.6 mttt -59.56 -36.78 76.84 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.106 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 16.3 m -85.7 101.17 12.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.371 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -146.18 111.27 5.33 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.714 0.769 . . . . 0.0 109.288 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . 170.21 -163.28 36.59 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.857 -176.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -74.79 -18.34 60.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.262 0.531 . . . . 0.0 111.252 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.71 11.15 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.977 0.417 . . . . 0.0 110.817 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -64.89 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.75 -44.86 66.75 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.302 0.572 . . . . 0.0 111.067 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -68.53 -53.56 22.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.352 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.87 -37.26 83.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.441 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.59 -38.74 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.928 0.394 . . . . 0.0 110.449 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.557 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 95.9 m -72.66 -38.57 67.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -65.78 -31.66 72.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.23 0.538 . . . . 0.0 110.381 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -66.33 -34.0 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.457 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 73.0 mttt -56.41 -45.59 80.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 173.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -66.62 -35.65 80.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.281 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.9 m -62.72 -52.34 63.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.822 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 74' ' ' PHE . 39.8 t -63.59 -35.17 71.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.6 tm0? -51.86 -54.06 33.47 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.846 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.89 -27.75 68.23 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.698 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -50.35 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.91 -4.6 47.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.3 m -82.36 -15.8 51.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.935 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.75 4.23 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.404 174.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.94 137.01 2.93 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 89' ' ' PHE . 16.6 tt -71.74 -15.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.278 0.561 . . . . 0.0 110.848 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.14 -35.51 77.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.734 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.78 14.9 34.66 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.247 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 86' ' ' ILE . 50.9 t80 -72.71 125.28 27.13 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.35 -157.14 28.81 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -69.93 3.61 2.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.362 0.581 . . . . 0.0 111.201 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.71 -38.56 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.037 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -126.74 -29.14 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.86 113.04 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.02 146.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.046 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 58' ' ' GLU . 2.1 p -82.53 103.09 11.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.278 0.561 . . . . 0.0 111.097 174.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 p -73.27 73.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.973 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.7 m . . . . . 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.507 177.79 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.743 0.306 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' A' ' 41' ' ' LEU . 60.4 mtpt -57.43 -38.99 75.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.68 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.489 ' HB2' HD11 ' A' ' 24' ' ' LEU . 13.3 pt-20 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 0.0 110.504 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 20.5 tp10 -79.35 -36.36 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.089 -177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.26 -46.42 67.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.998 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 48' ' ' ILE . 54.5 tp -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.979 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 9.3 ptm180 -63.83 -23.1 67.22 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.437 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.41 -26.92 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.78 -15.35 39.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.552 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 68.2 mt -92.59 169.52 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.327 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 32.0 t -82.25 175.49 10.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.47 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.14 -32.81 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.889 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.08 -43.56 52.44 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.495 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -57.04 -34.73 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.061 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.636 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.3 mttt -62.29 -33.79 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.693 0.282 . . . . 0.0 111.261 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -66.68 -43.1 85.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 43.5 m80 -77.95 -22.15 49.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.766 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.3 tm? -59.36 -53.24 60.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 t70 -67.11 -39.95 86.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.51 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 84.4 t90 -54.15 -48.17 71.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.526 HD23 ' HG ' ' A' ' 31' ' ' LEU . 2.1 tt -63.1 -36.33 83.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.299 -176.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.47 -52.57 63.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.596 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 4.6 mm-40 -64.51 -28.85 69.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.915 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.1 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.999 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.526 ' HG ' HD23 ' A' ' 27' ' ' LEU . 67.2 mt -70.03 -32.08 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.614 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.72 40.46 96.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.324 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -156.62 179.46 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.024 0.44 . . . . 0.0 110.896 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -105.04 -43.38 5.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.752 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.46 -56.05 19.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.569 -0.741 . . . . 0.0 114.181 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -41.14 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.738 0.769 . . . . 0.0 111.578 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 62.8 t80 -73.14 -27.95 61.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.403 . . . . 0.0 110.013 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.576 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 11.2 t70 -55.56 -50.07 71.01 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.268 0.556 . . . . 0.0 110.424 171.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.18 -41.06 87.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.639 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.27 -38.99 85.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.416 . . . . 0.0 110.511 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . 78.3 mt -74.17 -13.84 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.052 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.36 48.74 0.91 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.377 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -123.24 -170.33 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.086 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.87 134.63 40.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.863 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.96 -35.76 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -69.79 -28.41 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -86.73 -34.63 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.633 HG21 HD21 ' A' ' 12' ' ' LEU . 95.6 mt -66.03 -51.3 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.599 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.56 -35.83 82.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -64.65 -44.53 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.44 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.62 90.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.79 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.8 -48.74 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.644 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.3 -31.73 72.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 110.593 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -68.0 -50.74 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.233 175.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 74' ' ' PHE . 57.6 mt -53.44 -47.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.521 0.677 . . . . 0.0 109.95 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 48.7 tttt -53.17 -48.95 67.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.393 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 55.1 m -59.07 -47.05 86.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.556 ' HB3' HG23 ' A' ' 96' ' ' THR . 58.5 mm-40 -63.64 -47.43 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.53 -32.57 70.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.97 -18.69 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.507 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' SER . 97.3 mttt -71.63 -40.82 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 0.0 110.106 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.1 m -92.61 75.07 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.757 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -122.21 86.17 2.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.858 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.595 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -149.99 -149.19 4.95 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.666 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.57 -55.4 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.759 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.86 41.37 1.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.716 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -58.91 -45.0 91.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.33 -42.64 91.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.689 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 14.9 tp60 -59.75 -44.53 93.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.756 -175.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -70.56 -43.61 69.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.682 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.716 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.0 mttm -60.83 -37.97 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.546 ' HA ' ' CD ' ' A' ' 75' ' ' LYS . 51.7 m -71.01 -35.8 72.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.509 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m -67.1 -31.62 72.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.45 0.643 . . . . 0.0 109.633 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.415 ' HE1' HG23 ' A' ' 55' ' ' ILE . 7.6 t80 -69.58 -28.92 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.416 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' CD ' ' HA ' ' A' ' 72' ' ' THR . 85.8 mttt -58.89 -43.65 91.03 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.265 0.555 . . . . 0.0 109.892 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -24.69 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.245 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 m -70.88 -50.24 37.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.519 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.33 -33.2 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.8 -52.98 45.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.118 0.485 . . . . 0.0 111.055 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.16 -22.51 65.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.063 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.71 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 0.0 111.273 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.44 -5.01 53.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.196 0.522 . . . . 0.0 111.395 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -74.2 -24.33 59.34 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.79 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.24 5.22 52.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.044 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.28 147.73 13.08 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.725 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -81.7 -6.65 10.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.595 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.42 -36.44 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.854 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.83 15.32 62.84 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.657 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.16 144.4 33.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.294 0.569 . . . . 0.0 109.761 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.96 -152.02 24.17 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.604 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p -69.11 1.61 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.001 0.429 . . . . 0.0 112.093 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.94 -45.57 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.391 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -122.25 -12.71 8.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.84 102.37 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.007 0.432 . . . . 0.0 111.011 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.43 148.22 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.978 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.648 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 4.0 p -93.58 111.75 23.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.142 0.496 . . . . 0.0 110.779 172.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.9 p -80.41 50.66 1.31 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.628 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.648 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 28.4 m . . . . . 0 C--O 1.233 0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.789 178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.214 0.054 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.35 -39.75 61.1 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.365 0.416 . . . . 0.0 111.085 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 11.4 pt-20 -57.36 -44.12 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 22.9 mm-40 -68.02 -51.2 49.72 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.7 -33.3 72.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.641 HD21 HG21 ' A' ' 48' ' ' ILE . 55.1 tp -83.08 -39.77 20.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.31 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 39.2 ptt180 -72.76 -7.05 48.73 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.831 -173.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 44.5 mt-10 -62.39 -37.53 86.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.266 0.555 . . . . 0.0 109.578 168.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -89.3 -14.47 35.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.786 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.1 156.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 9.2 m -78.56 168.94 19.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.976 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.79 -36.11 81.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.302 0.572 . . . . 0.0 110.201 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.533 ' OD1' ' HB2' ' A' ' 17' ' ' SER . 5.6 p-10 -66.01 -37.86 86.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.07 -37.73 72.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 98.9 mttt -60.2 -35.29 75.07 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -62.91 -45.93 90.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -82.73 -17.43 44.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.558 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.49 -47.5 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 28.2 t70 -62.53 -39.92 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.216 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -43.16 87.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.1 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.36 -33.24 75.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 23.4 ttmm -58.48 -45.22 89.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 109.746 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.28 -38.25 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.523 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -61.36 -47.57 85.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.56 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 37' ' ' PHE . 86.6 mt -78.09 -27.63 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.111 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.46 -64.06 3.59 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.112 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.69 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 27.7 t30 -72.74 115.04 11.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.5 -30.4 67.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.269 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.22 -45.98 94.07 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.644 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.69 ' HG2' ' HB3' ' A' ' 33' ' ' ASN . 8.6 pt-20 -82.0 -17.37 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.308 -0.524 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.55 ' HA ' HD12 ' A' ' 31' ' ' LEU . 35.7 t80 -69.95 -40.82 75.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 171.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -50.38 -41.7 52.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.072 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -48.68 -43.95 37.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.208 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' HG23 ' A' ' 48' ' ' ILE . 91.4 t80 -55.66 -44.68 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 41' ' ' LEU . 2.5 mm? -65.79 -23.88 66.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.664 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.52 40.41 3.07 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.942 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -125.79 -174.97 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.723 0.297 . . . . 0.0 110.841 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 48' ' ' ILE . 10.6 t70 -74.9 139.82 43.36 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.065 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.74 -36.74 65.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.364 0.415 . . . . 0.0 110.978 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 m -63.06 -39.31 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD3' HG23 ' A' ' 86' ' ' ILE . 61.3 mttp -78.32 -40.11 37.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.168 0.509 . . . . 0.0 109.999 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.641 HG21 HD21 ' A' ' 12' ' ' LEU . 79.4 mt -62.36 -52.86 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.923 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.14 -34.02 77.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.95 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -67.35 -41.47 85.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.606 0.241 . . . . 0.0 110.446 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.13 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.78 -44.75 95.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.245 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.23 -30.76 69.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.001 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -65.51 -48.36 72.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.465 HG23 ' HE1' ' A' ' 74' ' ' PHE . 89.3 mt -52.86 -44.95 49.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.316 0.579 . . . . 0.0 109.852 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.69 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.218 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -63.44 -34.69 78.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.301 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.571 ' HB3' HG23 ' A' ' 96' ' ' THR . 76.0 mm-40 -68.29 -52.9 28.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.964 0.412 . . . . 0.0 110.402 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -61.77 -18.04 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 111.207 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.91 -22.8 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.78 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -80.14 -29.78 38.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.419 0.628 . . . . 0.0 110.308 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 76.6 m -86.84 94.1 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.56 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -133.61 96.55 3.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.76 -138.51 7.18 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 119.583 -1.294 . . . . 0.0 114.403 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.571 ' ND2' ' H ' ' A' ' 66' ' ' ASP . 2.9 p-10 -61.56 -84.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.571 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 5.1 m-20 -82.46 14.26 3.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.483 . . . . 0.0 111.031 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -66.01 -49.06 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -176.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 10.7 m-20 -67.32 -23.77 65.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.771 -175.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 69' ' ' GLN . 12.3 tp60 -73.92 -42.24 60.9 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HB2' ' SG ' ' A' ' 98' ' ' CYS . 11.3 mm100 -66.91 -34.1 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.325 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 88.4 mttt -57.36 -38.68 74.56 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.379 0.609 . . . . 0.0 109.827 174.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.0 m -70.49 -42.51 71.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -68.26 -29.26 68.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.222 0.534 . . . . 0.0 110.956 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.465 ' HE1' HG23 ' A' ' 55' ' ' ILE . 21.9 t80 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.045 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 96.8 mttt -57.44 -36.82 71.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.196 0.522 . . . . 0.0 110.727 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.53 -30.37 46.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 22.6 m -64.89 -43.45 92.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.194 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.1 t -60.61 -39.93 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.321 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -58.95 -36.55 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.412 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.66 -15.26 68.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.605 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.12 -22.45 19.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.944 0.402 . . . . 0.0 111.197 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.62 25.64 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.315 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 m -55.76 -43.6 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.398 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.59 37.32 0.58 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.891 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.53 130.57 1.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.973 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.427 HG23 ' HD3' ' A' ' 47' ' ' LYS . 12.4 tt -95.41 -18.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 110.907 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.54 -14.06 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.344 0.592 . . . . 0.0 110.347 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.94 14.54 44.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.903 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -81.87 109.72 16.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -162.45 16.43 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -75.1 2.17 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 111.811 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.7 -38.31 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -109.13 -61.74 1.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.65 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 77' ' ' THR . . . -89.74 107.08 18.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.449 -171.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.79 139.97 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.569 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.571 HG23 ' HB3' ' A' ' 58' ' ' GLU . 2.2 p -77.16 105.71 8.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.9 174.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 p -72.09 49.3 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.878 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 70' ' ' GLN . 71.2 m . . . . . 0 C--N 1.326 -0.445 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.594 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 21.0 m . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -55.3 -46.83 76.22 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.594 ' OE1' ' HB2' ' A' ' 7' ' ' SER . 0.0 OUTLIER -68.49 -38.19 80.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.338 . . . . 0.0 110.11 -179.005 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.616 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.0 tp10 -63.57 -38.62 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.362 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 7' ' ' SER . 57.4 mt -69.85 -43.51 71.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 110.563 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.86 HD21 HG21 ' A' ' 48' ' ' ILE . 60.4 tp -72.08 -31.76 66.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.709 -175.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.616 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 5.5 ptm180 -68.95 -18.42 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.015 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 29.5 mt-10 -70.47 -24.7 62.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -87.35 -19.83 27.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 59.4 mt -91.42 175.05 7.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.137 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.572 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 34.2 m -73.17 167.87 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.73 -26.77 57.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.356 0.598 . . . . 0.0 109.58 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.28 -42.51 65.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.629 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.4 mt-30 -60.64 -29.7 69.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.048 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 17' ' ' SER . 96.6 mttt -57.17 -43.17 82.36 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.306 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -71.4 -33.53 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -75.8 -20.68 58.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.053 0.454 . . . . 0.0 110.433 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.31 -43.22 74.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.04 -47.17 86.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.041 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.98 -43.55 77.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.812 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.53 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -61.32 -43.78 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.17 -32.53 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.096 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.79 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 37' ' ' PHE . 58.8 mt -73.73 -22.08 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.88 -62.09 3.98 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.346 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -85.95 124.72 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.44 -20.91 65.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.03 -20.74 76.55 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.248 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -97.06 -28.25 14.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.753 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' HA ' HD12 ' A' ' 31' ' ' LEU . 60.2 t80 -69.12 -29.5 67.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.648 174.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.1 -43.5 66.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.908 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -54.81 -42.21 71.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.391 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.71 -33.24 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.368 0.604 . . . . 0.0 110.389 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 51.9 mt -80.12 10.67 4.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.709 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.68 25.18 5.66 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.361 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -106.74 178.4 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 111.829 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.12 129.23 41.14 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.38 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.8 mt-10 -61.2 -23.61 65.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.26 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 t -71.5 -38.47 71.16 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -74.57 -41.66 60.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 109.854 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.86 HG21 HD21 ' A' ' 12' ' ' LEU . 65.7 mt -55.15 -58.18 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.085 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.6 mttp -59.15 -40.43 85.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -62.99 -38.85 92.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.987 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.49 -46.22 90.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.264 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.64 -39.48 80.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.87 -42.67 90.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.475 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.88 -48.48 74.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 51' ' ' ALA . 75.7 mt -53.48 -46.68 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -61.94 -45.45 93.62 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -50.78 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 96' ' ' THR . 60.2 mm-40 -60.82 -39.95 90.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.346 0.593 . . . . 0.0 111.254 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -76.12 -27.34 57.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.584 -178.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.68 -26.66 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -76.69 -18.62 58.43 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 96.9 m -90.78 87.07 6.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.957 173.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -138.68 16.15 2.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.271 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.29 -139.93 4.43 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.801 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -71.41 -67.71 0.5 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 111.078 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -93.35 35.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.353 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -37.6 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.27 -39.89 73.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 110.768 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.417 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 4.9 tp60 -72.03 -39.19 69.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -178.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.26 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.776 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.63 -35.64 78.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -73.43 -41.58 63.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.938 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.435 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 27.5 m -70.0 -31.26 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' A' ' 59' ' ' LEU . 18.4 t80 -63.69 -23.82 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -58.86 -37.63 76.95 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 32.7 mt-30 -73.76 -33.74 64.42 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.348 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.9 m -65.67 -46.95 77.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.83 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.61 -33.13 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.781 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 83' ' ' SER . 2.6 mm-40 -56.21 -47.18 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.762 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.9 -7.63 87.43 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.026 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.95 -50.55 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 0.0 110.993 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.9 16.13 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.077 0.465 . . . . 0.0 111.331 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.48 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 10.2 t -87.78 41.29 0.98 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.365 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.03 -28.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.649 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.73 148.03 9.47 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.932 -1.128 . . . . 0.0 112.746 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -100.08 -14.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.546 0.689 . . . . 0.0 109.962 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.88 -24.88 59.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.936 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.22 7.69 58.62 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.189 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -77.3 121.84 24.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.042 0.449 . . . . 0.0 110.504 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.74 -159.08 25.54 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 m -70.88 1.9 4.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -81.91 -37.25 27.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -126.78 -20.08 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.189 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -127.86 116.44 20.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.564 0.221 . . . . 0.0 111.016 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.82 154.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.974 0.416 . . . . 0.0 111.313 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 58' ' ' GLU . 8.7 p -92.92 127.29 38.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.699 166.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 p -72.17 21.11 0.06 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.472 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.401 ' H ' ' C ' ' A' ' 96' ' ' THR . 45.4 m . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 121.57 0.7 . . . . 0.0 109.958 176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.455 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 8.2 m . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.417 0.151 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.41 -33.93 71.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.842 0.353 . . . . 0.0 110.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 12.4 pt-20 -62.49 -37.14 84.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.328 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.6 tm-20 -67.57 -42.96 81.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.56 -35.2 70.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.714 HD21 HG21 ' A' ' 48' ' ' ILE . 56.3 tp -74.28 -44.29 53.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.85 -22.13 65.26 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.422 -174.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 11.8 mm-40 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 0.0 110.884 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.18 -0.23 39.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.015 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 39.0 mt -99.15 172.03 7.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.621 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 64.8 p -90.86 169.76 10.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.929 175.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.88 -34.4 75.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.207 0.527 . . . . 0.0 109.777 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.56 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.182 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.9 mt-30 -59.75 -38.57 82.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.877 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 86.2 mttt -62.33 -36.37 81.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.778 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.2 m -68.59 -44.55 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.922 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 65.3 m80 -73.52 -17.26 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.571 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.1 -44.78 91.26 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -64.56 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.396 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -63.43 -47.77 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.259 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 30' ' ' ALA . 38.1 tp -65.19 -24.26 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.829 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 35.6 ttmt -60.17 -43.45 95.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.01 -33.57 57.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.238 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -62.57 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.62 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 36' ' ' GLU . 87.8 mt -83.79 -18.65 36.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.05 -62.25 4.02 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.492 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -92.92 144.95 24.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.879 0.371 . . . . 0.0 110.536 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.21 -36.17 77.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.166 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.62 96.76 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.65 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 31' ' ' LEU . 25.8 mm-40 -76.54 -28.34 56.27 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.501 -0.411 . . . . 0.0 111.448 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.7 t80 -73.52 -35.69 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.32 -38.16 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.164 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 3.2 tppp? -49.8 -51.96 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.665 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.509 ' CE2' HG23 ' A' ' 48' ' ' ILE . 90.4 t80 -69.53 -35.85 75.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.021 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 77.6 mt -74.57 2.23 10.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.818 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.93 29.07 8.33 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.14 -177.04 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 112.014 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 48' ' ' ILE . 7.9 t70 -71.37 136.95 48.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.296 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.45 -38.0 68.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.291 0.369 . . . . 0.0 111.086 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -61.85 -34.62 76.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.12 0.486 . . . . 0.0 110.034 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.477 ' HD3' HG23 ' A' ' 86' ' ' ILE . 99.4 mttt -86.81 -37.68 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.714 HG21 HD21 ' A' ' 12' ' ' LEU . 76.3 mt -61.89 -51.84 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HE2' HD23 ' A' ' 16' ' ' LEU . 89.2 mttt -65.14 -29.97 70.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -71.76 -42.22 67.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.33 -47.41 82.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.72 -38.73 91.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.4 -37.73 87.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.679 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.491 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.473 HG22 HD22 ' A' ' 59' ' ' LEU . 66.9 mt -53.68 -39.5 38.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.513 176.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 30.4 ttpt -63.01 -36.11 82.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.177 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -61.55 -55.89 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.496 ' HB3' HG23 ' A' ' 96' ' ' THR . 21.2 mm-40 -62.92 -32.69 74.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.238 -176.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -76.27 -26.84 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.331 177.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -76.64 -38.83 53.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.418 0.628 . . . . 0.0 109.89 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.85 -17.75 61.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.531 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -121.22 100.1 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.37 108.64 7.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.979 0.895 . . . . 0.0 109.933 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.49 -166.07 39.29 Favored Glycine 0 C--N 1.315 -0.611 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.591 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -78.73 -25.29 44.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.35 0.575 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.38 -17.45 42.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.207 0.527 . . . . 0.0 110.054 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -60.26 -32.56 71.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.882 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.81 -42.1 75.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.437 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.22 -46.78 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.416 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.15 -37.13 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.76 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.474 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.1 mttm -65.54 -34.56 78.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.551 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 77.7 m -73.46 -37.42 65.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.659 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.0 m -69.85 -36.85 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.211 0.529 . . . . 0.0 110.767 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.9 t80 -62.74 -32.4 73.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 87.7 mttt -51.84 -50.45 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.488 0.661 . . . . 0.0 110.704 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.78 -29.12 66.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.638 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.7 m -66.75 -46.38 75.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.572 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 74' ' ' PHE . 93.6 t -61.6 -35.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.1 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.46 -48.86 65.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.64 -20.7 68.06 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.297 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.83 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.885 0.374 . . . . 0.0 111.078 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.3 mt -106.01 30.56 5.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.002 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 p -63.34 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.905 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.83 47.69 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.112 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.46 149.36 5.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.624 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.477 HG23 ' HD3' ' A' ' 47' ' ' LYS . 18.2 tt -112.86 -28.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.026 0.413 . . . . 0.0 111.144 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.93 -12.87 60.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 110.719 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.55 -5.56 74.88 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 172.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -83.47 129.32 34.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 110.077 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.76 -155.26 26.55 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -67.64 -1.41 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 111.228 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -79.83 -32.67 40.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -138.12 -10.93 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.57 103.72 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.805 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 m -138.09 147.64 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.628 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 58' ' ' GLU . 20.1 p -96.64 118.13 32.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.082 169.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.9 p -78.86 31.05 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.92 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.9 m . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -177.454 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.723 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 6.8 m . . . . . 0 N--CA 1.449 -0.521 0 CA-C-O 120.575 0.226 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -64.53 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 13.5 pt-20 -63.61 -25.29 68.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.95 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 32.2 tt0 -86.77 -42.51 13.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.989 -175.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.37 -36.58 79.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.28 0.562 . . . . 0.0 110.196 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 48' ' ' ILE . 58.3 tp -75.71 -29.89 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.681 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 9.7 ptm180 -72.45 -15.27 61.82 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 36.7 mt-10 -71.09 -26.2 62.94 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' OE1' ' A' ' 45' ' ' GLU . 26.6 mmtp -87.73 -23.04 24.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.233 -177.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 87.8 mt -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.184 -171.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.633 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.4 p -83.85 179.32 7.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.874 174.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.03 -33.02 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.388 0.613 . . . . 0.0 111.079 -170.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.98 -43.04 68.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.364 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 16.0 mm-40 -62.49 -42.01 99.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.681 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 90.1 mttt -58.87 -33.97 71.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.926 0.393 . . . . 0.0 111.181 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.3 m -64.21 -42.11 96.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -84.98 -22.33 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -50.64 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.9 -31.28 68.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.597 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.1 -45.85 93.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.437 ' CD1' HG11 ' A' ' 78' ' ' VAL . 48.9 tp -60.15 -29.63 68.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.995 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -59.77 -41.94 92.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.737 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -78.1 -32.42 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.92 -56.57 19.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.34 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 74.6 mt -64.14 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.35 -44.99 3.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.853 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.4 127.15 46.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.41 -43.33 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.865 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.57 90.28 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.899 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.89 -33.3 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.496 -0.414 . . . . 0.0 110.372 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.472 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 54.3 t80 -66.33 -30.22 70.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.045 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.8 t70 -54.37 -40.49 68.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.813 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -52.73 -43.62 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.632 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CE1' HG23 ' A' ' 48' ' ' ILE . 86.6 t80 -69.25 -32.35 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.314 0.578 . . . . 0.0 111.096 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 38' ' ' ASP . 42.8 mt -72.89 -10.1 59.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.086 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.45 24.93 27.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.05 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -106.52 -179.27 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.032 0.444 . . . . 0.0 112.196 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' ' 48' ' ' ILE . 37.8 t70 -71.31 140.12 50.17 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.184 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' A' ' 15' ' ' LYS . 30.9 mt-10 -56.32 -41.08 75.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.491 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.461 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 31.1 t -68.22 -30.64 69.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -81.7 -40.37 22.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.01 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.674 HG21 HD21 ' A' ' 12' ' ' LEU . 69.3 mt -61.58 -54.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.687 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.1 m -73.15 -41.26 64.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.563 0.221 . . . . 0.0 110.574 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.34 85.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.96 -45.62 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 20.7 t70 -66.17 -28.62 68.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.953 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.01 -48.93 64.38 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.04 -45.69 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.463 0.649 . . . . 0.0 109.356 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 28.1 tttt -57.07 -25.44 58.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -83.02 -53.53 5.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.882 0.372 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.32 -45.03 89.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.265 0.555 . . . . 0.0 111.274 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 74' ' ' PHE . 18.5 tp -65.93 -21.64 66.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.698 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.4 -42.24 14.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.774 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -64.26 -20.79 66.29 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.948 0.404 . . . . 0.0 110.643 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.437 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 35.5 m -84.47 97.59 9.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -151.66 113.81 4.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.593 0.711 . . . . 0.0 109.428 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.88 -133.33 4.24 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.669 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -87.91 -16.26 34.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.609 0.718 . . . . 0.0 110.102 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.44 -11.5 23.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -57.54 -57.09 14.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.564 -169.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.18 -45.8 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.97 -45.85 63.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.12 -40.16 92.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.106 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.471 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 68.7 mttm -62.69 -32.12 73.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.794 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 m -75.94 -46.45 29.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.428 ' HA ' HE21 ' A' ' 76' ' ' GLN . 26.2 m -70.43 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.455 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.467 ' HD2' HD13 ' A' ' 59' ' ' LEU . 18.0 t80 -62.91 -28.23 69.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.969 0.414 . . . . 0.0 110.711 -178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 93.6 mttt -56.75 -42.35 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.639 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' A' ' 73' ' ' THR . 47.2 mt-30 -72.86 -31.82 65.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.067 -176.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.0 m -61.08 -39.55 90.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.336 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 27' ' ' LEU . 86.4 t -62.27 -36.75 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.88 -174.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.6 mp0 -62.95 -35.45 80.17 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.067 0.46 . . . . 0.0 110.667 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.34 -12.52 83.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.75 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.72 19.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.87 33.01 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 p -77.62 50.1 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.535 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.14 -37.71 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.875 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.81 176.15 38.77 Favored Glycine 0 N--CA 1.429 -1.767 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 48' ' ' ILE . 18.6 tt -77.75 -19.16 13.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.506 0.669 . . . . 0.0 110.228 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -73.4 98.86 2.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.663 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.99 -4.9 10.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.926 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.19 113.02 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.09 -163.21 16.53 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.09 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -74.58 2.19 10.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.48 -30.64 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -114.2 -59.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.956 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.04 97.17 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.052 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 135.26 50.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.969 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.437 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 20.8 p -95.82 122.18 38.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.716 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.1 p -78.58 26.17 0.24 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.212 0.53 . . . . 0.0 111.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 96' ' ' THR . 62.2 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.315 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 19.6 m . . . . . 0 C--O 1.234 0.257 0 N-CA-C 111.158 0.059 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.4 mttp -59.0 -37.65 77.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 110.155 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.751 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 11.8 pt-20 -57.1 -44.28 83.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.323 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' HG3' ' HG3' ' A' ' 9' ' ' GLU . 47.5 mt-10 -74.34 -31.5 62.45 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 8' ' ' LYS . 75.2 mt -64.51 -43.15 94.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.751 172.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.639 HD21 HG21 ' A' ' 48' ' ' ILE . 55.8 tp -66.31 -34.58 78.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.593 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.7 mtp85 -59.76 -30.25 68.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.769 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.9 mt-10 -70.39 -26.8 63.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.467 . . . . 0.0 110.222 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -93.38 -1.61 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 88.2 mt -110.2 155.14 22.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 111.871 -173.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 t -71.99 170.91 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.562 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -70.7 -36.28 73.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.526 0.679 . . . . 0.0 110.019 -173.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.78 -38.46 89.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.309 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.4 mm100 -65.33 -38.82 91.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 91.4 mttt -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.661 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.0 m -62.15 -46.95 86.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.932 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -78.64 -13.85 59.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.74 -47.57 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -62.46 -32.14 72.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -66.03 -47.69 73.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 27' ' ' LEU . 2.9 tt -67.08 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.945 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -54.57 -40.12 68.45 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.419 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -80.04 -34.94 37.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -54.26 -49.42 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.323 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 89.6 mt -80.62 -36.84 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.19 32.17 81.59 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.694 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -150.91 129.57 12.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.66 -53.2 59.41 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.477 0.486 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -41.3 89.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.385 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -72.19 -34.65 68.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.027 0.413 . . . . 0.0 110.944 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.522 ' HA ' HD12 ' A' ' 31' ' ' LEU . 73.1 t80 -73.49 -33.96 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.0 t70 -59.05 -38.68 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.341 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -57.39 -39.26 75.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.506 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.461 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 63.9 t80 -66.51 -36.45 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.206 0.527 . . . . 0.0 110.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 38' ' ' ASP . 21.2 mt -66.72 -17.3 64.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.12 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 14.5 62.04 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.335 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 40' ' ' PHE . 25.7 m-85 -89.53 -177.43 5.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.486 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' HB3' ' HG3' ' A' ' 47' ' ' LYS . 27.0 t0 -66.21 132.95 49.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.246 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.92 -37.09 63.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -63.7 -36.1 82.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.155 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 58.3 mttm -83.44 -38.21 22.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.059 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.639 HG21 HD21 ' A' ' 12' ' ' LEU . 83.0 mt -60.4 -49.24 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.17 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.4 -37.31 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -66.27 -43.58 86.0 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.528 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -56.46 -53.49 56.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.699 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.79 -39.36 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.554 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.18 -37.79 72.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.781 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.34 -44.82 95.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.486 HG23 ' CE1' ' A' ' 74' ' ' PHE . 78.9 mt -55.67 -48.28 77.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.398 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -58.54 -31.94 68.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 m -74.15 -54.38 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 26.3 mm-40 -63.7 -47.5 80.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.528 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.84 -28.64 70.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.893 0.378 . . . . 0.0 111.114 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.45 -34.27 77.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 41.6 mtmt -66.57 -19.61 65.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.091 0.472 . . . . 0.0 110.583 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 29.3 m -86.03 69.96 10.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.494 . . . . 0.0 110.371 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -125.98 17.02 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.641 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.18 -164.56 37.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.435 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -62.18 -37.13 84.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.663 0.268 . . . . 0.0 111.538 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.42 42.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.691 0.758 . . . . 0.0 109.678 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.57 -53.8 36.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.677 -174.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.549 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -68.53 -33.68 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -66.48 -42.56 87.27 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.48 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 13.4 mm100 -63.52 -41.88 98.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 175.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 87.1 mttt -55.31 -47.59 75.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 110.147 175.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 29.7 m -67.0 -35.15 79.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.249 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -76.68 -30.1 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.081 0.467 . . . . 0.0 110.9 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 55' ' ' ILE . 6.2 t80 -65.05 -30.73 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 88.5 mttt -55.74 -50.18 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.476 172.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -65.54 -33.48 76.02 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.034 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.8 m -59.7 -48.43 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.01 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.59 -35.07 71.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.4 tm0? -52.59 -47.3 67.01 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.214 0.53 . . . . 0.0 110.468 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.23 21.35 38.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.303 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.69 -51.1 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.01 0.48 24.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.482 0.658 . . . . 0.0 111.514 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 p -86.74 -12.52 47.96 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.41 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.0 4.14 35.81 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.129 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.45 -134.63 6.95 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 tt -170.86 -29.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.716 0.294 . . . . 0.0 110.876 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.91 -34.08 74.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.41 16.6 57.28 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.044 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -81.63 122.99 28.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.37 -145.14 10.03 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.476 ' HA ' HG13 ' A' ' 95' ' ' VAL . 3.1 p -68.08 -4.09 12.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 0.0 111.357 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -80.17 -27.63 38.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -143.85 -27.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.91 101.2 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 91' ' ' SER . 3.1 m -136.55 144.09 33.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.291 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 34.9 p -96.1 115.77 27.95 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.241 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.0 p -73.09 56.97 0.46 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.476 0.655 . . . . 0.0 110.118 172.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.547 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 78.2 m . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.852 -175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.472 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 39.0 m . . . . . 0 C--O 1.231 0.129 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HB2' HD13 ' A' ' 41' ' ' LEU . 55.0 mttp -51.94 -46.6 64.76 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 123.533 0.521 . . . . 0.0 111.59 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.515 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -61.45 -39.78 92.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 -178.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.5 mm-40 -72.82 -42.14 64.14 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.477 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 70.2 mt -66.11 -34.69 78.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 48' ' ' ILE . 59.4 tp -80.22 -39.86 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.5 ptm180 -65.84 -19.11 65.76 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.636 0.255 . . . . 0.0 110.394 -177.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 51.4 mt-10 -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.767 0.794 . . . . 0.0 109.862 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -96.77 15.19 22.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.37 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 95.3 mt -110.28 163.73 13.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.641 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 3.2 p -81.34 169.75 16.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.8 -33.54 74.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.628 0.727 . . . . 0.0 109.556 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.55 -44.23 96.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.671 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.59 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 11.9 mm-40 -66.28 -43.39 86.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 17' ' ' SER . 85.6 mttt -57.92 -35.23 70.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -47.21 79.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.24 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CD2' HD12 ' A' ' 59' ' ' LEU . 73.6 m80 -85.55 -13.48 48.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.03 0.443 . . . . 0.0 111.054 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.1 tm? -62.04 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 171.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.71 -35.66 76.87 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.651 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -59.35 -45.05 92.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.476 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 20.8 mt -64.74 -25.75 68.06 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.7 ttmm -61.75 -34.73 76.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -81.4 -42.66 20.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.838 171.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -56.04 -55.5 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.924 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 36' ' ' GLU . 4.4 mm? -59.36 -31.31 69.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.563 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.64 4.98 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 HD22 ' HG2' ' A' ' 36' ' ' GLU . 35.8 t30 -82.63 120.09 25.11 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 171.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.54 -28.25 69.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 -37.2 94.44 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.381 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 31' ' ' LEU . 11.6 mm-40 -72.85 -24.72 60.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.044 0.45 . . . . 0.0 110.935 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 73.8 t80 -75.79 -34.32 60.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.479 -0.564 . . . . 0.0 109.479 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 41' ' ' LEU . 37.1 t70 -59.96 -43.72 94.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.51 0.671 . . . . 0.0 109.736 172.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 52.5 tptt -51.53 -44.51 62.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.829 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 73.0 t80 -62.3 -38.91 91.24 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.918 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 8' ' ' LYS . 51.0 mt -72.16 -11.63 60.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.133 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.74 35.61 4.63 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.115 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' A' ' 40' ' ' PHE . 26.0 m-85 -115.63 178.97 4.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.497 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 13.9 t70 -67.41 139.78 57.14 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.31 -42.35 52.54 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.624 0.578 . . . . 0.0 111.336 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -72.63 -33.62 66.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.385 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE2' ' CB ' ' A' ' 44' ' ' ASP . 41.1 mtmt -75.65 -34.94 60.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 12' ' ' LEU . 73.2 mt -62.21 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.958 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.2 mttt -65.29 -37.13 86.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.47 -178.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -65.49 -40.41 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.467 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.27 -53.36 54.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.07 -46.11 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.8 -38.44 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.68 -44.34 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.598 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 51' ' ' ALA . 81.5 mt -53.56 -45.77 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.33 -41.37 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.924 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.1 t -57.7 -48.75 78.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.431 . . . . 0.0 110.808 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 96' ' ' THR . 13.0 mm-40 -70.26 -41.88 72.88 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.531 HD22 ' HG2' ' A' ' 71' ' ' LYS . 42.4 mt -71.78 -20.59 61.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.298 0.571 . . . . 0.0 110.359 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.72 -28.4 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.482 0.658 . . . . 0.0 109.57 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.21 84.09 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.778 -172.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -131.28 15.89 5.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.064 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -151.08 26.35 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.785 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -81.17 -7.22 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 110.766 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -92.57 -0.27 57.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.749 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.14 2.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -166.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -41.17 86.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.174 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -69.44 -47.14 64.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.475 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -62.48 -37.18 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.531 ' HG2' HD22 ' A' ' 59' ' ' LEU . 96.9 mttt -57.63 -49.63 75.8 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.312 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -39.21 93.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.369 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -76.02 -30.67 58.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.866 0.365 . . . . 0.0 110.755 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 78' ' ' VAL . 8.6 t80 -64.59 -33.56 76.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.854 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 91.7 mttt -52.55 -43.08 64.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.836 175.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -70.64 -36.85 73.64 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.726 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.8 m -65.69 -42.89 90.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.676 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.551 HG11 HD21 ' A' ' 27' ' ' LEU . 62.5 t -68.29 -31.66 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 73.9 mt-30 -55.74 -47.35 77.08 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 110.597 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.85 7.66 53.96 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.312 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.09 -50.79 2.93 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.6 0.238 . . . . 0.0 111.015 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 HD21 ' A' ' 31' ' ' LEU . 91.9 mt -74.19 -33.6 63.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.293 0.568 . . . . 0.0 112.029 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 t -75.59 -27.42 58.52 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.902 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.65 -48.59 5.8 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.648 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.13 116.94 0.42 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.284 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.0 tt -72.96 -12.76 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.576 0.703 . . . . 0.0 110.07 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.53 -17.32 64.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.186 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.29 30.12 4.61 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.424 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -84.1 121.79 27.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.22 -156.34 15.02 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.002 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -77.92 0.4 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.451 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -84.88 -38.28 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -118.34 -12.08 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.19 105.69 5.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.814 0.34 . . . . 0.0 111.286 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.41 149.19 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.655 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 16.8 p -92.93 118.62 31.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 p -71.6 47.24 0.13 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.328 0.585 . . . . 0.0 111.065 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.655 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 84.4 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.02 0.438 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 11' ' ' LEU . 98.0 mttt -63.95 -36.08 82.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.924 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.14 -32.11 72.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.724 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.85 -28.6 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.88 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 8' ' ' LYS . 28.6 mt -78.92 -49.67 12.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 175.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 49.8 tp -65.06 -39.68 93.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.857 -175.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptm180 -59.92 -27.68 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 111.187 -176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.65 -32.51 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 0.0 110.263 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -95.34 2.11 54.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.444 -176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 84.9 mt -97.66 177.46 5.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 73.3 p -82.98 -176.51 6.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.9 -41.21 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.186 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -44.3 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.599 0.238 . . . . 0.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.2 mt-30 -57.25 -30.78 64.93 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.5 mttt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 110.633 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 45.9 m80 -70.82 -23.78 62.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.7 mt -62.79 -51.34 67.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 170.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.86 -32.93 73.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.521 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -63.22 -46.46 86.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.862 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 33.4 tp -61.86 -32.28 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -56.41 -43.6 79.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.997 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.39 -37.56 51.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.127 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -61.19 -45.42 94.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.096 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' HG2' ' A' ' 79' ' ' GLN . 95.2 mt -77.37 -41.7 39.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.399 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.24 13.36 67.3 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.687 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 54.6 t-20 -139.17 129.84 26.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.63 -45.24 89.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.597 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.86 92.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.802 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 14.4 mm-40 -68.33 -37.41 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.824 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.657 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.5 t80 -74.52 -40.74 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -53.06 -45.54 68.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.172 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 51.2 pttt -62.44 -26.99 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.787 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 48' ' ' ILE . 90.5 t80 -69.45 -41.58 76.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 37' ' ' PHE . 2.1 mm? -66.14 -23.39 66.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.324 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.65 42.33 3.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.504 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -127.28 179.37 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' HG13 ' A' ' 48' ' ' ILE . 26.0 t70 -62.12 128.79 37.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.957 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.46 -36.07 68.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.692 0.282 . . . . 0.0 111.452 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.482 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 40.7 m -73.02 -29.9 63.36 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.246 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.55 -39.92 57.53 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.616 HG21 HD21 ' A' ' 12' ' ' LEU . 72.4 mt -60.62 -52.34 62.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.218 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HE2' HD23 ' A' ' 16' ' ' LEU . 99.5 mttt -61.1 -34.61 75.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.353 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.6 m -67.97 -45.44 74.19 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.415 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.2 -49.2 77.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.63 -40.48 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.408 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.36 -35.5 75.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.11 -44.87 87.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 51' ' ' ALA . 80.6 mt -52.49 -46.92 48.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 65.7 tttp -58.82 -49.66 76.86 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.645 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -51.49 -36.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.534 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 66.3 mm-40 -87.99 -49.59 6.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.607 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -67.41 -27.4 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.781 0.324 . . . . 0.0 111.663 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 4.0 t70 -70.31 -13.62 62.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.713 -177.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.46 -36.94 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.366 0.603 . . . . 0.0 110.262 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.649 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 2.8 m -96.57 99.54 11.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.646 -172.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -125.19 0.65 7.82 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.696 0.284 . . . . 0.0 111.064 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.61 -175.68 48.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.112 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -69.1 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.729 0.412 . . . . 0.0 111.358 -177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.48 -12.23 61.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.663 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -64.71 -23.27 67.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.034 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.18 -42.11 85.36 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.388 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.47 -32.72 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 110.377 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.41 -31.29 68.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.994 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 78.5 mttt -64.58 -41.04 96.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.502 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 22.0 m -64.51 -31.77 73.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.562 175.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.504 ' HA ' HE21 ' A' ' 76' ' ' GLN . 27.7 m -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.189 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -63.24 -29.95 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.408 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 88.7 mttt -54.09 -47.14 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.479 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 73' ' ' THR . 44.4 mt-30 -70.33 -34.99 73.32 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.197 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 94' ' ' ALA . 26.8 m -60.5 -45.48 93.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.682 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 74' ' ' PHE . 69.1 t -67.69 -39.24 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.511 ' HG2' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.21 -45.04 84.19 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.252 177.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.55 -27.23 67.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.643 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.95 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.834 0.35 . . . . 0.0 111.08 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.8 mt -77.3 5.42 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.181 0.515 . . . . 0.0 111.475 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -84.29 -21.56 31.0 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.7 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.36 16.73 21.91 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.872 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.46 155.88 12.64 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.575 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -91.21 -17.61 7.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 110.344 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.64 -41.28 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.445 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.97 3.72 85.77 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.108 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -71.17 122.86 20.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.26 -151.32 15.28 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.756 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.1 -0.74 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.406 . . . . 0.0 111.78 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -72.81 -22.0 60.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.723 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -146.17 -48.45 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.801 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -83.2 98.5 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.0 111.524 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 58' ' ' GLU . 2.5 m -142.96 149.97 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.469 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 58' ' ' GLU . 15.9 p -98.01 114.73 26.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.703 0.764 . . . . 0.0 111.315 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 p -78.72 24.85 0.28 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.939 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.42 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.575 0.226 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -53.82 -42.53 68.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.59 -39.44 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 6.8 mm-40 -69.78 -44.82 69.34 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.7 mt -69.25 -37.32 77.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.327 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.8 tp -67.48 -39.85 85.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.371 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 46.4 mtt85 -54.98 -34.14 63.11 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 111.14 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 31.8 mt-10 -69.82 -25.44 63.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -102.01 -3.7 27.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.517 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 56.5 mt -100.03 166.35 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.503 0.668 . . . . 0.0 111.382 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 29.6 t -79.57 174.5 11.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.854 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.07 -36.46 61.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.247 0.546 . . . . 0.0 110.327 -172.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.09 -39.33 86.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.361 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.25 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.81 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.6 mttt -63.76 -40.15 96.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.386 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 m -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.755 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 51.2 m80 -76.69 -16.78 59.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 15.9 mt -68.35 -48.45 64.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.31 -40.0 94.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -64.4 -47.5 78.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.566 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.405 HD13 HG11 ' A' ' 78' ' ' VAL . 49.0 tp -67.22 -32.43 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.004 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.59 -39.59 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.568 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.51 -50.14 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.15 -37.34 64.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.18 -45.24 3.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.748 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -95.54 124.29 39.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 110.712 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.47 -35.91 78.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.696 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.14 -35.18 91.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.557 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -77.83 -27.32 49.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.054 0.454 . . . . 0.0 110.465 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 47.9 t80 -73.42 -33.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.6 t70 -55.97 -43.87 77.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.67 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -51.9 30.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.505 176.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.6 t80 -63.97 -40.4 96.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 87.3 mt -66.87 -17.42 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.687 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 23.29 36.06 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.772 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -104.98 175.23 5.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.437 . . . . 0.0 111.616 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.37 138.75 58.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.128 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -54.97 -37.04 66.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.834 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -62.75 -36.46 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.318 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.9 -37.96 19.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.243 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.61 HG21 HD21 ' A' ' 12' ' ' LEU . 71.5 mt -60.05 -53.14 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.01 176.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.9 mttt -62.91 -31.25 72.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.671 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -70.04 -45.37 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.9 -42.67 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.1 -38.84 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -65.54 -46.08 80.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 74' ' ' PHE . 86.5 mt -54.32 -46.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 77.3 tttt -58.07 -33.97 69.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.173 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 m -74.75 -50.36 17.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.511 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.57 ' HB3' HG23 ' A' ' 96' ' ' THR . 27.4 mm-40 -66.12 -48.36 71.09 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.194 -0.203 . . . . 0.0 111.322 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD11 ' HG2' ' A' ' 71' ' ' LYS . 25.6 tp -58.8 -26.01 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.35 -175.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.9 -29.29 66.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.675 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -71.22 -26.91 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.81 0.338 . . . . 0.0 111.833 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.0 m -97.37 72.01 2.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.516 . . . . 0.0 110.893 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.64 13.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.01 -144.77 14.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.81 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.05 -29.0 67.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.101 0.477 . . . . 0.0 110.986 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -100.93 15.82 27.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.096 -177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -55.4 -67.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -166.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -62.94 -31.14 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.578 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 13.8 tp60 -71.2 -40.75 70.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.6 mm100 -70.59 -34.51 72.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.72 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 90.4 mttt -55.35 -47.44 75.72 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 109.6 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.433 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 29.7 m -62.99 -35.11 79.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.874 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.487 ' HA ' HE21 ' A' ' 76' ' ' GLN . 31.6 m -75.19 -35.21 61.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.138 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CE1' HG23 ' A' ' 55' ' ' ILE . 7.5 t80 -64.93 -29.37 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.062 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 97.7 mttt -57.77 -35.66 71.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.186 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.487 HE21 ' HA ' ' A' ' 73' ' ' THR . 48.2 mt-30 -75.08 -36.02 61.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 94' ' ' ALA . 31.9 m -63.4 -46.22 87.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.725 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.1 t -59.62 -35.59 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -56.22 -43.78 78.89 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 111.051 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.37 -18.37 79.95 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.157 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . . . -73.87 -54.85 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.584 0.231 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.7 mm? -75.77 -0.95 22.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.302 0.572 . . . . 0.0 111.585 -178.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -77.41 -24.42 50.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.398 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.61 25.67 20.48 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.2 134.87 5.79 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.719 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 tt -65.51 -19.89 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.288 0.566 . . . . 0.0 110.752 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.92 -16.53 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.72 20.54 36.41 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CE1' HD21 ' A' ' 82' ' ' LEU . 19.7 t80 -85.85 119.31 26.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.32 -163.4 28.23 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.271 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 m -73.63 5.95 3.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.45 . . . . 0.0 111.454 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -93.31 -19.73 21.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 110.634 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.513 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 28.1 p-10 -137.83 -37.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.693 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -104.48 96.31 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.566 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.16 147.57 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 111.331 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.57 HG23 ' HB3' ' A' ' 58' ' ' GLU . 8.3 p -89.26 108.72 19.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.114 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.5 p -81.53 29.28 0.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 58.6 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.024 -176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.25 -44.29 75.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.43 -35.8 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.536 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 4.8 mm-40 -71.61 -17.02 62.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.551 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -99.32 -43.48 6.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.139 0.495 . . . . 0.0 109.993 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.73 HD21 HG21 ' A' ' 48' ' ' ILE . 59.9 tp -64.3 -40.65 96.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.953 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 8.0 ptm180 -60.82 -29.66 69.61 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.37 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.99 -32.77 71.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -85.54 -1.88 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.585 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.6 mt -95.71 176.72 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.194 0.521 . . . . 0.0 111.537 -176.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.9 m -88.13 169.44 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.665 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.53 -35.29 75.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.421 . . . . 0.0 110.416 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.43 -56.68 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 82.5 mt-30 -58.77 -36.95 75.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.105 -173.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.4 mttt -59.98 -37.84 80.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.037 0.446 . . . . 0.0 110.928 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 m -70.61 -36.06 73.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.491 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 49.1 m80 -77.06 -21.13 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.318 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.545 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 4.4 mt -62.93 -47.08 84.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 33.1 t70 -63.36 -41.5 98.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.14 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.09 -49.42 77.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD13 HG11 ' A' ' 78' ' ' VAL . 46.9 tp -62.79 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.134 -179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.45 -52.83 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 25.3 mm-40 -62.9 -39.49 94.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.872 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.6 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD23 ' HG2' ' A' ' 79' ' ' GLN . 94.1 mt -75.95 -43.51 44.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.206 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.45 -61.43 4.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.319 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -68.45 132.08 46.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.082 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.99 73.13 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.354 -176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.58 -34.71 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.393 -0.475 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.642 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 32.6 t80 -72.79 -38.69 67.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 41' ' ' LEU . 14.8 t70 -58.41 -38.89 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.995 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -51.22 -53.54 34.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.356 176.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.607 ' CE2' HG23 ' A' ' 48' ' ' ILE . 84.4 t80 -63.17 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.932 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 73.6 mt -65.83 -15.43 62.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.761 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.63 13.7 63.81 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.676 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 25.6 m-85 -93.05 -178.22 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 0.0 111.697 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' ' 48' ' ' ILE . 14.9 t70 -72.26 136.62 46.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.116 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.56 -37.59 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.071 0.232 . . . . 0.0 111.322 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -68.07 -32.4 72.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.995 0.426 . . . . 0.0 110.238 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.47 -37.96 22.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.126 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.73 HG21 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -60.5 -50.92 78.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.224 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HE2' HD23 ' A' ' 16' ' ' LEU . 97.6 mttt -66.06 -33.91 76.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.247 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -67.71 -42.41 82.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.511 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.56 -48.11 82.49 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.13 -41.04 97.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.639 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.44 -40.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -62.11 -44.03 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.5 mt -50.67 -48.56 27.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.798 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 56.8 tttm -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.843 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 m -57.31 -43.95 83.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.534 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 31.7 mm-40 -69.63 -45.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.05 177.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.22 -34.74 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -25.86 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.429 -177.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 53.0 mttm -68.37 -28.66 67.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.269 0.557 . . . . 0.0 110.575 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 3.8 m -89.34 87.58 7.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.913 -173.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -140.26 103.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.843 0.83 . . . . 0.0 109.144 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.467 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . 167.02 -160.38 34.05 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.715 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -69.8 -27.63 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.292 0.546 . . . . 0.0 111.684 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.1 m-20 -93.36 0.65 56.98 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -55.54 -43.56 75.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.13 -48.09 71.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.505 0.669 . . . . 0.0 110.953 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 12.3 tp60 -72.27 -45.05 61.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.456 -174.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.617 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.1 mm100 -60.54 -45.63 93.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.311 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.57 -39.92 95.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 0.0 110.19 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -64.27 -47.08 80.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.091 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.2 m -70.18 -24.47 63.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 111.117 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 t80 -66.69 -30.78 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 93.4 mttt -56.02 -39.51 72.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 18.3 mt-30 -71.31 -39.77 71.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.462 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.4 m -60.45 -48.18 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.774 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.2 t -63.65 -34.06 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.539 ' HG2' HD23 ' A' ' 31' ' ' LEU . 63.9 mt-30 -55.52 -38.65 69.51 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.75 6.62 83.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.95 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.551 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -97.23 -55.78 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.605 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.4 mm? -88.89 24.57 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.629 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -64.79 -35.59 81.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.167 0.508 . . . . 0.0 110.047 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.25 72.17 0.1 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.982 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.87 108.4 0.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.113 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.0 tt -91.3 -22.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.72 103.16 8.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.16 -10.79 6.19 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -171.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' A' ' 82' ' ' LEU . 13.5 t80 -66.14 115.43 6.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.79 -152.19 10.57 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -75.04 13.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.009 0.433 . . . . 0.0 111.539 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -99.75 -40.23 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -119.8 -13.75 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.68 98.02 3.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.727 0.298 . . . . 0.0 110.75 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.435 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 4.0 m -136.93 144.29 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 21.0 p -97.79 115.84 28.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 171.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -75.31 51.92 0.58 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.447 0.641 . . . . 0.0 110.228 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.708 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 74.6 m . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.885 -172.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 20.4 m . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 110.635 -0.135 . . . . 0.0 110.635 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -59.62 -25.21 64.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.849 -0.159 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.02 -38.58 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.298 177.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -72.57 -28.11 62.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.007 0.432 . . . . 0.0 110.415 178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 7' ' ' SER . 75.2 mt -73.84 -33.48 64.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.0 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.0 tp -71.13 -32.02 68.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 49.3 mtt180 -56.65 -34.14 67.02 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.77 -24.7 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.861 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.996 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 74.5 mt -102.5 175.02 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 112.019 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.0 p -96.12 -176.78 3.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.288 171.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.6 -36.21 65.48 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.299 0.571 . . . . 0.0 110.732 -169.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -65.9 -43.82 87.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.334 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 94.3 mt-30 -66.45 -36.15 82.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.608 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 87.5 mttt -62.25 -31.11 71.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.084 0.469 . . . . 0.0 110.462 176.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -70.52 -37.49 74.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.106 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 38.5 m80 -70.49 -29.71 66.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.109 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD11 HD23 ' A' ' 12' ' ' LEU . 15.4 mt -61.3 -49.3 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 173.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.74 -47.18 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.62 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -59.73 -50.95 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.694 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.89 -35.55 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -55.45 -49.62 71.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.385 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -77.99 -30.09 49.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.752 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.54 -51.86 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.519 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.57 -38.01 77.2 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.125 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.2 -1.08 61.34 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.586 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -132.07 115.52 15.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 1.5 m-20 -63.76 -21.28 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.047 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.55 -47.71 33.15 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.751 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.66 -37.77 70.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.324 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' HD22 ' A' ' 24' ' ' LEU . 58.3 t80 -65.72 -35.46 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 20.4 t70 -58.45 -39.07 78.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.141 0.496 . . . . 0.0 110.902 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.85 -32.27 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.256 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE2' HG23 ' A' ' 48' ' ' ILE . 72.0 t80 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.13 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 41' ' ' LEU . 2.6 mm? -70.41 -27.16 64.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.22 3.24 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.15 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.17 -177.3 4.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 39.2 t0 -68.59 129.33 39.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.61 174.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -52.79 -35.64 57.03 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.215 0.322 . . . . 0.0 110.789 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -64.96 -39.48 93.55 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.044 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 38.0 mttp -76.45 -38.36 55.54 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.305 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.616 HG23 ' CE2' ' A' ' 40' ' ' PHE . 73.4 mt -59.63 -55.16 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.005 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HE2' HD23 ' A' ' 16' ' ' LEU . 96.5 mttt -65.54 -31.74 72.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.62 -177.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -72.54 -39.46 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.21 -47.9 84.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 177.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.67 -42.94 97.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.074 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 9.1 t70 -69.75 -27.71 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -177.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.38 -47.65 69.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.464 HG22 HD22 ' A' ' 59' ' ' LEU . 76.6 mt -53.6 -43.38 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.676 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 80.6 tttt -56.56 -48.74 76.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.259 176.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.9 m -64.92 -44.35 89.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 37.1 mm-40 -61.7 -41.46 97.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.464 HD22 HG22 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -61.64 -29.81 70.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.557 178.368 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -74.33 -22.51 59.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.667 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 46.4 mtpt -73.41 -27.45 61.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.664 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 5.9 m -98.07 100.85 12.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -139.83 24.41 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.658 0.266 . . . . 0.0 111.617 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.22 -152.22 28.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.568 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -78.25 -16.19 58.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.637 0.732 . . . . 0.0 109.652 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.0 p-10 -98.81 9.93 42.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.126 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.21 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.981 0.419 . . . . 0.0 111.707 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.88 -34.13 74.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.43 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -72.77 -39.05 67.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.2 mm100 -68.41 -33.53 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.465 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.68 -33.98 68.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.257 0.551 . . . . 0.0 110.149 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.546 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 34.8 m -79.45 -40.69 29.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.009 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.5 m -69.18 -32.25 71.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.113 0.483 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.6 t80 -65.28 -24.01 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.971 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' A' ' 72' ' ' THR . 94.9 mttt -59.59 -39.28 83.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.319 0.581 . . . . 0.0 110.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.23 -35.5 71.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.201 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.1 m -60.35 -47.67 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.55 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 74' ' ' PHE . 56.8 t -64.87 -35.62 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.079 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -54.92 -37.27 66.17 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 111.165 175.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.72 -20.32 51.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.67 -40.97 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.658 0.266 . . . . 0.0 111.466 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.1 mt -91.6 36.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.447 . . . . 0.0 110.428 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -77.37 38.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.841 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.13 -11.81 10.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.822 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.27 129.5 6.1 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.779 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.54 -26.42 3.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.865 0.364 . . . . 0.0 110.799 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.84 -16.89 60.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.613 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.21 10.65 54.85 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -85.94 121.64 28.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.004 0.43 . . . . 0.0 109.967 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.11 -148.84 15.3 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.327 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 t -68.37 -1.38 6.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -81.57 -26.87 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -146.3 -21.33 0.44 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -129.61 104.67 7.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.53 143.46 36.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.664 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 8.7 p -79.95 101.38 8.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.571 0.701 . . . . 0.0 110.432 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.6 t -78.62 35.44 0.24 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.951 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.214 179.522 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.568 ' HG3' ' OD2' ' A' ' 38' ' ' ASP . 27.6 mmtp -47.36 -45.69 25.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.199 0.523 . . . . 0.0 111.042 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HA ' HD11 ' A' ' 41' ' ' LEU . 7.2 pt-20 -58.03 -45.11 87.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.417 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 3.6 mm-40 -67.8 -38.15 82.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -175.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 68.0 mt -59.9 -36.43 76.96 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.47 0.481 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.891 HD21 HG21 ' A' ' 48' ' ' ILE . 52.4 tp -83.42 -36.94 23.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.791 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.581 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 20.1 mtp180 -60.23 -24.55 64.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.26 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.0 mt-10 -58.5 -35.84 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.405 0.621 . . . . 0.0 110.113 173.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -103.1 11.77 36.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.292 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 89.9 mt -117.9 166.26 12.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.628 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 52.5 p -87.95 175.59 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.23 -36.24 83.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 110.012 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.53 -54.15 47.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.2 mt-30 -65.18 -31.53 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.959 -173.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 17' ' ' SER . 89.5 mttt -65.5 -38.06 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.6 m -70.67 -36.1 73.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -71.44 -20.98 62.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 24' ' ' LEU . 15.6 mt -70.68 -44.31 67.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.08 -34.58 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.062 0.458 . . . . 0.0 110.07 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.64 -47.79 77.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.337 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG11 ' A' ' 78' ' ' VAL . 3.4 mt -63.6 -33.02 74.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.288 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.23 -40.9 78.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.567 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.44 -35.46 46.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.732 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -56.41 -56.79 16.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 4.0 mm? -64.27 -38.07 89.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.327 173.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.75 24.42 75.49 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -159.76 124.0 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.9 -32.51 73.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.998 0.427 . . . . 0.0 110.028 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.98 -36.56 91.16 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 178.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -79.29 -33.88 42.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' O ' HD23 ' A' ' 41' ' ' LEU . 21.8 t80 -69.3 -35.29 75.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.568 ' OD2' ' HG3' ' A' ' 8' ' ' LYS . 25.0 t70 -50.04 -42.51 49.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.19 174.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.611 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.5 tpmt? -52.12 -34.45 44.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.65 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.536 ' CE1' HG23 ' A' ' 48' ' ' ILE . 88.0 t80 -73.52 -39.13 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.339 0.59 . . . . 0.0 110.246 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.8 mm? -66.03 -26.63 67.61 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.953 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.69 37.16 3.38 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.759 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -117.92 -174.29 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.234 0.54 . . . . 0.0 111.007 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 48' ' ' ILE . 33.3 t70 -74.29 135.44 42.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.512 178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -55.66 -41.33 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.142 0.276 . . . . 0.0 111.436 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 19.1 m -69.36 -27.52 65.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.649 0.261 . . . . 0.0 110.385 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.63 -39.86 21.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.062 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.891 HG21 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -61.44 -50.61 79.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.536 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.42 -35.42 79.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.7 m -69.48 -42.13 75.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.582 176.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.8 -47.58 84.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.25 -39.61 89.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -46.78 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.338 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 51' ' ' ALA . 73.6 mt -54.05 -49.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.162 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.36 -47.63 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.957 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -56.8 -55.54 33.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.794 -176.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.602 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 70.7 mm-40 -58.65 -49.57 77.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.215 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 71' ' ' LYS . 10.4 tp -65.61 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.163 -174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.84 -25.4 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.901 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.602 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 7.7 mtmp? -79.03 -2.56 40.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 83.0 m -84.57 89.42 7.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.699 0.762 . . . . 0.0 111.143 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -137.77 100.89 4.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.824 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.23 -152.19 11.83 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.381 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -77.26 -40.37 44.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.852 0.358 . . . . 0.0 111.522 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -103.76 29.13 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.493 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.4 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.648 0.261 . . . . 0.0 111.421 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.12 -38.97 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.417 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -72.53 -42.5 64.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.1 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.87 -40.43 95.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.964 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.539 ' HA ' HD11 ' A' ' 59' ' ' LEU . 99.7 mttt -66.26 -19.83 65.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.469 . . . . 0.0 110.875 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 m -88.83 -44.05 10.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -69.85 -28.5 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.371 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 59' ' ' LEU . 5.1 t80 -59.25 -27.76 66.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.577 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 95.5 mttt -58.24 -44.53 88.33 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 22.5 mt-30 -70.71 -35.0 72.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -59.62 -46.59 88.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 27' ' ' LEU . 58.0 t -67.43 -33.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 8.8 mm-40 -54.72 -50.28 68.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.873 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.65 -19.87 75.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.938 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 94' ' ' ALA . . . -75.86 -39.31 56.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.4 mt -78.26 -5.83 53.17 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.546 0.689 . . . . 0.0 110.252 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -82.97 58.91 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.605 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -14.02 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.436 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.36 142.96 7.14 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -68.16 -24.64 30.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.236 0.541 . . . . 0.0 110.232 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.62 95.99 7.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.5 -11.5 6.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -63.89 116.5 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.05 -160.25 23.17 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.889 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.471 ' HA ' HG13 ' A' ' 95' ' ' VAL . 13.7 p -68.59 -5.37 19.51 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -85.64 -9.85 56.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.398 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -148.33 -32.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.736 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . . . -115.96 102.26 9.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 111.079 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' ' 91' ' ' SER . 2.7 m -136.58 154.54 32.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.142 0.496 . . . . 0.0 111.344 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.552 ' C ' ' H ' ' A' ' 98' ' ' CYS . 40.7 p -97.52 125.8 42.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 165.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -74.03 30.74 0.08 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.826 0.822 . . . . 0.0 110.371 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' CYS . 92.3 m . . . . . 0 N--CA 1.446 -0.631 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.928 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 67.4 mttm -59.07 -37.95 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HA ' HD22 ' A' ' 41' ' ' LEU . 7.6 pt-20 -62.87 -32.95 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.708 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 44.4 mt-10 -72.14 -55.51 7.18 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.336 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.511 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 75.0 mt -58.58 -38.77 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.129 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.495 HD21 HG21 ' A' ' 48' ' ' ILE . 61.3 tp -69.76 -37.26 76.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.023 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.566 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.6 ptm180 -77.87 -14.55 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.815 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.7 mt-10 -70.58 -25.38 63.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.466 0.65 . . . . 0.0 109.332 173.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.981 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 13' ' ' ARG . 93.9 mt -107.36 155.46 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.002 -175.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.1 p -79.21 178.81 7.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.34 -37.2 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.25 0.547 . . . . 0.0 110.215 -169.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -64.5 -45.69 86.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.39 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.1 mm100 -65.4 -32.26 73.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.667 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 17' ' ' SER . 98.2 mttt -63.91 -35.64 81.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.098 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.6 m -66.67 -48.62 68.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.2 m80 -70.67 -21.4 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.062 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.19 -51.57 65.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.436 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.4 t70 -65.25 -38.92 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.517 177.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 88.9 t90 -58.25 -44.2 88.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.608 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.04 -30.73 71.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE3' ' CD1' ' A' ' 37' ' ' PHE . 2.9 ttmt -60.83 -48.11 83.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.307 175.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.77 -38.36 88.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.24 -49.1 75.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.409 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.487 HD23 ' HG2' ' A' ' 79' ' ' GLN . 90.3 mt -74.87 -30.58 61.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.87 -61.22 4.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.42 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.448 HD22 ' HG2' ' A' ' 36' ' ' GLU . 44.3 t30 -80.29 126.42 31.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.78 -34.15 71.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.198 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.26 99.59 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.602 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HG2' HD22 ' A' ' 33' ' ' ASN . 13.2 mm-40 -75.62 -28.14 58.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 40.8 t80 -73.44 -36.7 65.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.874 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.3 t70 -57.9 -37.73 74.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.121 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 4.4 tppp? -50.0 -46.92 53.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.642 176.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.544 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 84.4 t80 -67.99 -33.32 74.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 38' ' ' ASP . 56.5 mt -74.69 2.83 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.005 -175.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.96 36.48 2.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.196 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 16.1 m-85 -112.61 -177.73 3.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.272 0.558 . . . . 0.0 112.267 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.545 ' O ' HG13 ' A' ' 48' ' ' ILE . 23.4 t70 -66.14 131.69 46.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.354 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 12.1 mt-10 -55.54 -38.93 69.92 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 111.61 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -72.97 -34.05 66.24 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.288 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.554 ' HD3' HG23 ' A' ' 86' ' ' ILE . 64.0 mttp -70.95 -39.5 72.57 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 44' ' ' ASP . 59.7 mt -60.1 -50.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.346 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 33.4 mmtp -57.24 -47.27 81.77 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.559 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.3 m -58.23 -46.13 86.47 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.75 -50.66 73.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.56 -47.31 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.555 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.57 -38.01 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.049 0.452 . . . . 0.0 110.77 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.49 -47.69 77.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.196 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.426 HG23 ' HE2' ' A' ' 74' ' ' PHE . 87.0 mt -54.18 -45.33 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.107 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.2 -45.16 91.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.0 p -66.36 -44.86 82.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.71 ' HB3' HG23 ' A' ' 96' ' ' THR . 62.1 mm-40 -62.24 -43.57 98.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.406 . . . . 0.0 111.016 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.76 -25.75 68.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.36 -17.05 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.37 -36.59 39.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 8.3 m -90.88 83.05 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 -171.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.21 80.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.126 0.488 . . . . 0.0 110.704 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.5 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -143.37 -149.86 5.18 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 173.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.66 -27.17 67.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.488 . . . . 0.0 111.016 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.11 20.08 19.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.395 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -58.93 -54.7 44.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.979 0.419 . . . . 0.0 110.986 -173.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.51 -38.47 81.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.015 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -71.63 -46.35 59.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.392 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.62 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 15.1 mm100 -63.76 -41.24 98.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.174 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 65.2 mttm -59.9 -43.16 94.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.097 0.475 . . . . 0.0 110.087 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.533 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 64.5 m -70.28 -27.67 64.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.412 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 44.0 m -74.28 -37.61 63.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.126 176.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.6 t80 -63.12 -30.95 72.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.453 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 92.5 mttt -53.9 -42.11 68.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.166 0.508 . . . . 0.0 110.426 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 39.0 mt-30 -74.43 -34.25 63.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.382 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.3 m -62.87 -49.05 76.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.0 t -64.39 -36.47 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.495 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HG2' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.44 -38.46 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.156 0.503 . . . . 0.0 110.894 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.96 6.23 82.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.767 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -97.34 -49.79 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.839 0.319 . . . . 0.0 111.453 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.3 mm? -86.21 9.4 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.439 . . . . 0.0 111.677 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -67.64 -34.8 77.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.388 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.71 30.15 4.27 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.347 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.67 169.73 12.72 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.888 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG23 ' HD3' ' A' ' 47' ' ' LYS . 15.0 tt -118.58 -2.48 9.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.496 0.665 . . . . 0.0 109.932 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.46 -40.63 85.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.422 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.66 25.3 28.54 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.291 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.539 ' CE2' HD21 ' A' ' 82' ' ' LEU . 13.2 t80 -83.78 126.88 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.22 -149.58 15.74 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.577 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -72.91 -0.99 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.031 0.443 . . . . 0.0 110.747 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.81 -29.13 24.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.984 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -134.0 -33.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.71 94.07 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.38 142.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' ' 58' ' ' GLU . 6.6 p -73.64 108.4 6.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.157 0.503 . . . . 0.0 110.764 172.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 p -74.44 61.11 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.624 172.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 62.9 m . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.833 -175.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.446 -0.657 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -62.82 -29.09 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.263 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.2 pt-20 -65.16 -39.97 93.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 2.0 mp0 -57.55 -35.47 70.38 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 110.637 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 mt -79.36 -42.38 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.326 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.742 HD21 HG21 ' A' ' 48' ' ' ILE . 61.6 tp -66.75 -40.34 88.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.614 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 23.0 mtp180 -61.46 -27.36 68.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.026 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 42.6 mt-10 -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -98.49 -5.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 97.4 mt -92.1 164.53 13.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.383 . . . . 0.0 111.079 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.602 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 55.0 p -85.89 178.7 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.035 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -58.61 -48.4 81.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.204 0.526 . . . . 0.0 110.751 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.28 -52.76 64.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.208 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 94.9 mttt -66.89 -46.11 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -77.15 -35.96 55.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 19.2 m80 -66.7 -23.9 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.384 . . . . 0.0 110.76 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.518 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 25.0 tp -69.97 -38.78 76.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.694 177.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.97 -48.21 82.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 172.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -53.56 -47.53 69.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.195 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 31' ' ' LEU . 52.4 tp -58.06 -49.37 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.586 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 23.6 ttpt -56.5 -49.95 73.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.351 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.96 -34.72 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.937 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 -55.6 19.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.91 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 mp -60.84 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.71 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 -63.2 2.39 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.666 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -77.51 132.3 38.32 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.824 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -59.04 -33.75 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.195 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.69 -36.85 93.86 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.691 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.79 -39.99 29.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.995 0.426 . . . . 0.0 110.106 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 28' ' ' LYS . 20.1 t80 -64.37 -34.74 78.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.665 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.47 -50.53 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.556 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.15 -39.74 66.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.384 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 79.8 t80 -68.57 -40.87 80.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.145 0.498 . . . . 0.0 111.273 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 67.9 mt -65.75 -19.09 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.788 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.55 31.25 8.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.023 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 14.0 m-85 -103.0 -177.62 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.208 0.528 . . . . 0.0 111.728 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.64 133.43 49.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.041 175.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -57.34 -42.23 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -62.49 -23.75 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.17 -40.93 11.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.742 HG21 HD21 ' A' ' 12' ' ' LEU . 79.4 mt -60.75 -53.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.351 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.1 -38.26 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.212 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.4 m -67.29 -40.52 86.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.618 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.7 -47.94 83.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.762 0.315 . . . . 0.0 110.664 177.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.53 -43.14 94.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.31 -29.12 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 0.0 111.063 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.84 -43.08 80.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 51' ' ' ALA . 86.3 mt -54.35 -49.02 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.412 0.625 . . . . 0.0 109.758 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 25.7 tttm -56.74 -39.36 73.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.176 175.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 m -63.69 -46.43 85.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.976 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.74 -40.76 72.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.473 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.69 -25.26 67.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.7 -25.57 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.506 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -74.9 -29.37 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.708 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 3.2 m -109.76 93.55 4.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.533 -173.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 63.3 m-80 -142.24 29.47 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.05 -131.55 7.35 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.389 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -82.21 -6.34 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.845 0.831 . . . . 0.0 109.523 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -98.32 -6.58 30.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.502 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . . . -55.94 -61.84 2.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.067 -166.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.58 -31.05 71.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.415 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -78.96 -46.83 17.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.194 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.43 -35.94 80.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.5 mttm -65.17 -24.39 67.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -83.29 -39.06 21.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.659 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 m -68.65 -36.71 78.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -64.14 -27.55 69.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.76 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 95.0 mttt -55.83 -42.77 76.24 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.133 0.492 . . . . 0.0 110.77 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -70.9 -35.32 72.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.858 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.8 m -66.07 -54.48 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.928 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.52 -36.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 13.1 tm0? -48.78 -48.63 41.03 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.17 -18.63 79.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.567 -176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -70.05 -57.15 5.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.766 0.317 . . . . 0.0 111.44 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.9 mm? -79.76 -5.7 55.83 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.195 0.521 . . . . 0.0 112.133 -173.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.506 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -41.76 7.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.306 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.2 143.45 3.73 Favored Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.61 -12.66 10.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.516 0.674 . . . . 0.0 109.623 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.29 -21.63 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.529 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.06 25.78 7.73 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.087 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HD21 ' A' ' 82' ' ' LEU . 23.7 t80 -81.23 136.59 35.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.403 0.62 . . . . 0.0 109.758 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -153.74 24.97 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.929 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -69.97 -2.48 12.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 0.0 110.706 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -70.63 -39.75 73.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.542 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -116.53 -58.3 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.938 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.78 96.97 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.86 136.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.017 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 2.2 p -79.6 103.84 9.79 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.894 175.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -71.39 65.28 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.53 0.681 . . . . 0.0 110.955 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.7 m . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.179 179.11 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.546 -0.168 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -51.85 -44.51 63.67 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 123.529 0.518 . . . . 0.0 111.067 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 7.9 pt-20 -58.24 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 1.8 tm-20 -77.86 -45.85 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.941 -178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 31.2 mt -64.82 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.537 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 48' ' ' ILE . 61.6 tp -71.17 -42.46 69.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.15 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.607 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptp180 -67.99 -16.9 64.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.807 -177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.6 mt-10 -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.133 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 6.1 mtpm? -91.51 -6.5 52.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.408 -177.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.0 mt -90.5 155.8 18.64 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.376 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.8 t -73.5 164.84 26.11 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.37 -27.36 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.118 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.81 -27.83 66.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.424 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 46.0 mt-30 -84.53 -30.84 24.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.2 mttt -61.63 -35.91 79.26 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.899 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -63.02 -40.64 98.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.049 0.452 . . . . 0.0 111.286 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.514 ' CD2' HD12 ' A' ' 59' ' ' LEU . 59.1 m80 -80.43 -17.17 52.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 35.3 tp -65.89 -49.8 66.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.35 -31.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 90.5 t90 -60.65 -43.99 96.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.935 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.99 -32.2 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.13 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.175 0.512 . . . . 0.0 110.234 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.69 -36.91 79.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.77 80.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 37' ' ' PHE . 72.5 mt -73.87 -29.4 62.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.693 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.63 5.61 64.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.54 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -144.2 119.33 10.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.33 -23.0 66.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -72.76 -39.88 54.21 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.275 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.726 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 44.7 mt-10 -79.95 -27.92 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.306 0.574 . . . . 0.0 110.036 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' A' ' 31' ' ' LEU . 33.7 t80 -69.36 -26.15 64.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.47 0.652 . . . . 0.0 109.785 173.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.493 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.4 t70 -61.29 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.313 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 ptmt -56.51 -35.89 68.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.063 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.447 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.3 t80 -69.24 -35.07 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.197 0.522 . . . . 0.0 110.347 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 50.9 mt -73.02 -7.0 49.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.505 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.58 10.48 42.04 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.125 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 13.1 m-85 -89.5 178.22 6.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.905 0.383 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' HG13 ' A' ' 48' ' ' ILE . 15.5 t70 -71.52 141.39 50.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CD ' ' HZ2' ' A' ' 15' ' ' LYS . 2.4 mt-10 -56.14 -38.44 70.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.257 0.348 . . . . 0.0 111.241 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.9 m -67.49 -32.28 72.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.458 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 62.6 mttm -79.58 -40.9 28.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG21 HD21 ' A' ' 12' ' ' LEU . 78.7 mt -59.78 -51.66 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.847 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.51 -39.08 92.37 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.809 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.8 m -61.2 -44.12 97.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.565 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.45 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.38 -53.07 58.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.17 -42.25 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.728 -176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.31 -33.6 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 109.982 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.83 -48.08 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.894 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 51' ' ' ALA . 82.8 mt -53.07 -46.83 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 175.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 15.2 ttpt -57.62 -45.06 85.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.145 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 96' ' ' THR . 53.4 mm-40 -65.59 -46.54 79.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD12 ' CD2' ' A' ' 23' ' ' HIS . 48.4 mt -64.2 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.59 0.233 . . . . 0.0 111.506 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.92 -22.55 66.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.38 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -74.8 -17.11 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 1.2 m -117.91 93.61 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.572 . . . . 0.0 111.779 -175.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -126.26 93.92 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.771 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.6 -170.98 44.15 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.746 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.68 -55.54 6.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.432 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.16 -28.68 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.504 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -62.73 -27.02 68.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.536 -177.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.69 -44.08 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.371 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.95 -39.44 93.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.393 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.13 -43.64 98.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.45 -36.37 76.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.6 m -66.24 -37.79 86.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.495 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -69.94 -31.52 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 78' ' ' VAL . 30.3 t80 -64.33 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.257 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.83 -38.43 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 79' ' ' GLN . 45.2 mt-30 -77.93 -28.71 49.71 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.636 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -65.01 -47.44 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.754 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 74' ' ' PHE . 82.7 t -62.15 -35.07 66.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.25 174.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 5.1 mm-40 -56.09 -36.75 68.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.305 174.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.09 -0.05 88.9 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.381 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.547 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -94.69 -65.65 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.577 0.227 . . . . 0.0 111.524 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.565 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.1 mm? -75.85 -1.78 26.93 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -75.95 -38.08 57.94 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.564 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.42 -38.69 7.58 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.07 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.64 152.85 7.05 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.973 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.06 -20.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.044 0.45 . . . . 0.0 110.564 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.89 -10.35 59.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.0 109.863 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.11 10.59 43.92 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.387 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CE2' HD21 ' A' ' 82' ' ' LEU . 21.4 t80 -81.46 120.58 25.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 -161.96 25.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.212 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 95' ' ' VAL . 26.7 p -73.78 -2.84 25.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 111.516 -177.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.21 -36.82 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.518 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -121.21 -13.34 8.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.02 104.74 5.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 111.338 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 91' ' ' SER . 3.2 m -146.09 153.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.546 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.729 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 18.6 p -101.27 113.35 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 110.487 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 p -76.9 53.44 0.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.467 0.651 . . . . 0.0 111.069 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . 0.729 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 63.3 m . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.841 -177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 13.6 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.61 -39.4 73.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 10' ' ' GLU . 4.5 pm0 -64.03 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.212 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 35.3 mt-10 -72.0 -28.96 63.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 120.699 0.285 . . . . 0.0 110.805 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 56.8 mt -76.09 -38.44 56.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 175.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 48' ' ' ILE . 65.7 tp -68.65 -41.19 79.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.172 -178.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.548 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.6 -16.37 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.504 -177.279 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.4 mt-10 -72.35 -29.83 64.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -98.22 2.95 48.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.931 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 57.7 mt -96.85 172.41 7.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.617 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.4 m -80.84 170.9 15.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.458 173.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.94 -36.9 85.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.309 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 -48.23 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.769 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm100 -58.38 -32.76 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.585 -177.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.4 mttt -58.18 -41.47 83.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.106 0.479 . . . . 0.0 111.034 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -71.92 -40.46 68.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.777 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 39.4 m80 -70.3 -28.34 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.15 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -51.96 65.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.279 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 22.7 t70 -70.23 -30.58 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.171 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -56.65 -46.98 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 174.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD13 HG11 ' A' ' 78' ' ' VAL . 43.5 tp -62.71 -36.43 82.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.516 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 35.4 ttmt -58.41 -47.33 84.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.159 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 37.0 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.686 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.91 91.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.865 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.38 -45.65 30.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.57 12.55 83.66 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.258 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -139.05 124.18 19.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 5.0 p-10 -64.79 -36.04 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.66 -42.54 93.27 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 113.042 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -71.62 -39.26 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 110.446 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -69.7 -29.69 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.874 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 15.8 t70 -57.39 -44.47 84.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.878 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -38.39 77.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.024 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.34 -38.04 86.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.546 . . . . 0.0 110.33 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.88 -9.07 57.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.095 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.75 21.63 45.0 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.189 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.94 -177.07 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.269 0.556 . . . . 0.0 111.649 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 50.5 t0 -73.54 129.49 38.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.134 174.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.72 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 5.3 mt-10 -56.19 -34.9 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.093 0.246 . . . . 0.0 110.728 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -59.85 -36.09 76.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.441 0.638 . . . . 0.0 109.865 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 39.2 mttp -81.82 -35.23 29.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.971 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.581 HG21 HD21 ' A' ' 12' ' ' LEU . 80.3 mt -63.63 -47.03 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.733 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 27.9 mmtt -57.86 -44.77 86.8 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.1 m -62.66 -46.34 88.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.948 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.24 78.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.64 -42.06 99.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.193 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -22.83 55.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -73.86 -42.84 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.2 mt -53.98 -51.57 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 68.4 tttt -53.22 -39.77 64.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.822 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 48.0 t -65.27 -54.71 25.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.173 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.605 ' HB3' HG23 ' A' ' 96' ' ' THR . 72.7 mm-40 -64.28 -37.83 88.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.77 -24.93 66.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.114 -0.366 . . . . 0.0 111.075 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 57' ' ' SER . 15.1 t70 -70.59 -27.51 64.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.692 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' N ' ' HE2' ' A' ' 61' ' ' LYS . 8.8 mmpt? -69.5 -31.27 69.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 52.5 m -95.99 100.37 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.164 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -144.45 105.05 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 0.0 109.376 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.13 -153.63 24.48 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.902 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.47 -53.04 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.09 14.58 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.409 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.24 -50.0 69.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -170.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 13.3 t70 -59.99 -39.05 84.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 -173.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.95 -36.72 72.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.23 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.15 -36.92 84.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 110.22 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 63.2 mttm -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.805 174.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -68.35 -37.22 80.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.523 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 m -67.28 -33.61 75.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.632 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 t80 -63.02 -27.38 69.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.677 -177.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.548 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 95.0 mttt -54.13 -43.27 70.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.765 175.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.13 -30.19 64.79 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.992 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 94' ' ' ALA . 45.7 m -68.61 -45.36 72.13 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.315 176.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG11 HD13 ' A' ' 27' ' ' LEU . 59.5 t -64.27 -33.05 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.879 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.9 mt-30 -53.39 -44.89 69.04 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-O 121.348 0.594 . . . . 0.0 110.258 174.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.47 27.04 16.93 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.441 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.38 -47.61 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.71 0.291 . . . . 0.0 110.938 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.9 mm? -80.19 10.25 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.84 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 t -87.9 -32.59 18.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.839 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.05 78.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.284 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.28 7.94 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -74.94 -19.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 109.829 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.25 -41.79 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.15 5.0 81.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.202 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.435 ' CE1' HD21 ' A' ' 82' ' ' LEU . 28.6 t80 -70.65 121.21 17.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.25 -145.02 8.82 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.28 2.92 16.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.49 0.662 . . . . 0.0 109.956 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.23 -38.74 55.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.409 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.48 -62.7 1.53 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.673 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -82.79 99.8 9.9 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.08 -170.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.48 141.28 41.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 58' ' ' GLU . 12.1 p -85.71 116.62 24.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.194 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 16.8 p -61.95 0.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.694 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 121.047 0.451 . . . . 0.0 109.835 173.577 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.413 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 42.5 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.65 -33.04 69.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' HA ' HD22 ' A' ' 41' ' ' LEU . 9.7 pt-20 -61.65 -35.18 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 177.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 12.9 tp10 -72.34 -42.54 65.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.943 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.02 -34.25 74.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.677 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.691 HD21 HG21 ' A' ' 48' ' ' ILE . 60.4 tp -73.32 -43.53 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.474 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.8 ptm180 -63.74 -18.8 64.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.508 -175.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 30.3 mt-10 -64.75 -39.35 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HE3' HD12 ' A' ' 12' ' ' LEU . 39.0 mtmt -85.93 -5.66 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.282 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 13' ' ' ARG . 86.0 mt -93.86 158.05 15.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.207 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.3 p -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.075 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.07 -37.47 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -172.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.54 -41.48 79.78 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.219 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 96.2 mt-30 -70.14 -33.92 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.037 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.1 mttt -60.66 -40.12 90.85 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.278 0.561 . . . . 0.0 110.219 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -67.16 -47.24 71.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 53.9 m80 -72.89 -18.91 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.051 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.2 tm? -63.48 -50.16 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.1 t70 -64.94 -38.7 91.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.465 ' CZ3' HG21 ' A' ' 78' ' ' VAL . 81.1 t90 -59.88 -44.14 94.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.773 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 27' ' ' LEU . 2.3 tt -66.61 -29.16 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 24.1 ttmm -55.19 -47.75 74.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.951 173.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.61 -31.13 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.64 -51.65 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.238 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.05 -29.59 31.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.37 -58.75 3.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.345 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -70.39 123.41 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.452 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.85 -30.59 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.193 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.49 -43.72 96.24 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.998 -0.547 . . . . 0.0 113.101 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 73.7 mm-40 -72.46 -35.66 68.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.054 0.454 . . . . 0.0 111.004 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 60.8 t80 -71.49 -33.82 69.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.677 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 12.6 t70 -55.04 -44.86 75.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.251 172.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 36.3 ttmt -54.01 -44.78 71.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.303 177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 91.9 t80 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.124 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 39.8 mt -71.38 -12.79 61.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.704 -175.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.81 31.05 7.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.652 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 10.3 m-85 -103.21 -178.92 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 111.895 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 47' ' ' LYS . 21.3 t70 -58.56 129.73 43.48 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.924 176.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.38 -39.46 64.24 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -76.38 -31.92 58.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.552 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.459 ' HG3' ' OD1' ' A' ' 44' ' ' ASP . 56.1 mttm -74.97 -38.6 61.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.691 HG21 HD21 ' A' ' 12' ' ' LEU . 65.6 mt -59.36 -52.93 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.839 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.8 -44.49 77.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -61.55 -44.97 96.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.096 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.23 -48.17 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.48 -40.1 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.601 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.71 -37.99 79.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.383 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.08 -44.11 91.86 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.111 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.2 mt -53.54 -48.98 57.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.579 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 56' ' ' LYS . 8.0 ttpm? -58.33 -40.82 83.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 m -61.85 -52.89 62.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.279 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.0 mm-40 -65.7 -51.13 61.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.31 -24.19 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.743 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.6 -35.8 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.748 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.63 -27.11 67.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.558 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 23.2 m -91.85 97.75 11.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -145.4 108.84 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.851 0.834 . . . . 0.0 110.016 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.16 -153.43 23.95 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.39 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.37 -33.5 75.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.6 p-10 -89.95 -6.93 55.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.633 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.742 -169.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -59.15 -32.93 70.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.26 0.552 . . . . 0.0 111.079 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -86.59 -40.78 14.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.826 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 13.7 mm100 -63.72 -42.62 97.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.67 -31.39 72.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.954 0.407 . . . . 0.0 110.687 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 74.7 m -77.97 -36.07 49.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.662 177.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -74.75 -27.0 60.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 0.0 111.092 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.437 ' HE2' HG23 ' A' ' 55' ' ' ILE . 20.8 t80 -64.6 -27.0 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.943 0.401 . . . . 0.0 110.08 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.595 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 90.5 mttt -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 24.2 mt-30 -73.28 -25.87 60.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.872 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.2 m -69.1 -45.52 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.846 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.465 HG21 ' CZ3' ' A' ' 26' ' ' TRP . 73.7 t -60.99 -25.28 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.122 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 18.5 mm-40 -56.36 -42.56 77.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.394 175.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.9 10.24 73.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.333 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -100.73 -62.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.6 mm? -76.45 -0.63 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 112.12 -174.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -85.07 -16.48 40.5 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.977 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.69 10.65 25.63 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.31 141.21 10.24 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 tt -76.01 -21.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.302 0.572 . . . . 0.0 110.199 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.9 -29.07 70.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.478 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.79 10.93 59.12 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.427 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.528 ' CE2' HD21 ' A' ' 82' ' ' LEU . 17.2 t80 -77.01 119.16 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.07 -155.83 18.98 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.5 p -74.94 9.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.974 0.416 . . . . 0.0 111.29 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -95.43 -10.91 28.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.478 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 31.4 p-10 -151.28 -31.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.657 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.54 99.64 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 0.0 110.656 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 149.81 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.965 0.412 . . . . 0.0 111.793 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.551 HG23 ' HB3' ' A' ' 58' ' ' GLU . 13.3 p -94.51 113.99 25.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.462 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 p -83.32 43.11 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.487 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.69 151.21 25.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.843 0.354 . . . . 0.0 111.17 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -119.98 154.07 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.284 178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.17 -147.17 17.8 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.653 -176.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -87.26 -171.15 0.69 Allowed 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 122.888 2.392 . . . . 0.0 111.978 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.531 ' HB2' ' CB ' ' A' ' 10' ' ' GLU . 58.4 pttt -63.55 137.37 58.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.681 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m -107.87 -168.16 1.34 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.877 -172.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' HD13 ' A' ' 41' ' ' LEU . 65.1 mttm -52.76 -37.56 59.68 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.637 0.256 . . . . 0.0 111.114 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 14.8 pt-20 -60.5 -30.19 69.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.112 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.531 ' CB ' ' HB2' ' A' ' 6' ' ' LYS . 76.0 mm-40 -86.9 -33.17 19.82 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-O 121.336 0.589 . . . . 0.0 111.065 -178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 mt -77.65 -30.45 52.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.608 HD21 HG21 ' A' ' 48' ' ' ILE . 65.8 tp -82.9 -25.94 31.99 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 27.7 ttt180 -54.0 -48.56 70.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.08 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -57.99 -40.4 80.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.542 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.517 ' HE3' HD12 ' A' ' 12' ' ' LEU . 38.0 mtmt -80.18 -19.29 47.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.911 0.386 . . . . 0.0 111.661 -175.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 78.0 mt -84.63 166.4 17.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.331 0.586 . . . . 0.0 110.755 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -79.66 166.73 21.53 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.705 176.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.65 -32.33 73.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.366 0.603 . . . . 0.0 109.665 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.12 -56.04 27.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.606 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 90.7 mt-30 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.962 -173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.05 -43.02 91.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.124 0.487 . . . . 0.0 110.551 174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 m -64.94 -39.91 94.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.899 -178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 61.6 m80 -78.06 -18.73 55.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.427 -177.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 16' ' ' LEU . 16.4 mt -63.12 -48.75 77.21 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 171.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 32.2 t70 -63.12 -43.34 98.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.172 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -57.52 -47.98 80.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.77 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 31' ' ' LEU . 58.9 tp -64.98 -39.82 94.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.143 0.496 . . . . 0.0 110.233 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -61.22 -46.95 88.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.995 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 61.9 mt-10 -53.9 -45.1 71.03 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.957 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.32 -60.52 3.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.278 178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 27' ' ' LEU . 10.1 mp -64.23 -37.29 86.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.913 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 80.0 -50.88 4.0 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 121.315 -0.469 . . . . 0.0 112.749 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.1 137.7 32.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.219 0.533 . . . . 0.0 111.298 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -67.03 -36.4 82.02 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.843 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.14 -35.51 90.94 Favored Glycine 0 CA--C 1.519 0.304 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.893 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.78 -43.35 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.948 0.404 . . . . 0.0 110.449 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 52.4 t80 -67.37 -30.91 70.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.215 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.422 ' HA ' HD12 ' A' ' 41' ' ' LEU . 22.1 t70 -58.71 -42.7 89.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.411 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -56.02 -40.84 74.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.036 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.415 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 82.2 t80 -66.72 -39.1 87.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.089 0.471 . . . . 0.0 110.604 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 62.2 mt -67.05 -21.43 65.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.348 -178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.22 10.01 74.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.968 -0.634 . . . . 0.0 113.008 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.415 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 26.9 m-85 -90.57 175.31 7.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.012 0.434 . . . . 0.0 111.808 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -64.31 135.22 55.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.508 175.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -58.34 -35.85 72.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.933 0.397 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.3 m -64.2 -25.04 67.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.524 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -92.12 -41.65 10.36 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.421 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.608 HG21 HD21 ' A' ' 12' ' ' LEU . 77.8 mt -57.55 -51.92 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.635 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.54 -41.41 94.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.241 -178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 80.6 m -68.45 -38.95 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.981 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.64 -48.93 79.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.874 0.369 . . . . 0.0 110.401 176.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.49 -40.86 98.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.61 -37.78 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.642 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.7 -46.92 80.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.502 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.5 mt -54.99 -44.93 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 175.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 26.1 ttpp -58.41 -41.1 84.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.0 176.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 m -61.33 -51.63 68.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.59 ' HB3' HG23 ' A' ' 96' ' ' THR . 69.5 mm-40 -63.85 -40.67 97.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.358 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.4 mt -65.86 -33.09 75.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.728 0.299 . . . . 0.0 111.033 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.82 -24.35 61.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.199 0.523 . . . . 0.0 110.283 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 54.7 mtpt -78.03 1.74 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.194 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.666 ' SG ' ' HA ' ' A' ' 67' ' ' ALA . 5.2 t -129.41 94.93 3.89 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -141.72 101.0 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -172.52 -142.79 3.9 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -174.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -79.25 -47.93 15.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.902 0.351 . . . . 0.0 111.373 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -100.98 15.91 27.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.713 0.292 . . . . 0.0 111.363 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.666 ' HA ' ' SG ' ' A' ' 62' ' ' CYS . . . -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -53.52 -41.0 65.89 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.329 0.585 . . . . 0.0 111.013 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -71.85 -48.03 48.89 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.177 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.23 -33.85 76.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.287 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 67.0 mttm -62.6 -33.42 74.94 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.964 0.411 . . . . 0.0 110.056 174.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 79.0 m -78.19 -41.35 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.795 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.4 m -65.59 -34.2 77.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.901 0.382 . . . . 0.0 110.962 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.405 ' O ' HG23 ' A' ' 78' ' ' VAL . 11.2 t80 -60.36 -30.07 69.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.61 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 72' ' ' THR . 90.1 mttt -55.25 -43.58 74.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 176.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.63 -37.53 79.79 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 -178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.3 m -65.25 -44.17 88.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.301 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 74' ' ' PHE . 96.6 t -66.29 -36.94 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.421 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -56.46 -45.55 80.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.048 0.451 . . . . 0.0 110.902 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.66 4.82 80.96 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.2 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -101.28 -36.61 8.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.982 0.42 . . . . 0.0 110.322 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.0 mt -91.56 5.45 49.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.905 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.1 p -69.81 -27.96 65.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.284 -175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.03 6.93 25.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.555 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.85 166.08 10.85 Favored Glycine 0 N--CA 1.439 -1.145 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.165 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.1 tt -103.98 -1.52 9.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-O 121.728 0.775 . . . . 0.0 109.473 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -72.3 -42.98 64.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.414 -173.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.3 28.3 16.51 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.03 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -87.83 119.89 28.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.83 -154.03 14.39 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.157 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 m -71.99 5.32 2.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.343 . . . . 0.0 111.838 -176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -100.94 -5.98 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.931 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -147.52 -33.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.668 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.9 107.57 16.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.838 0.352 . . . . 0.0 110.921 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -143.43 149.2 18.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.088 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 58' ' ' GLU . 17.1 p -95.22 115.53 27.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.751 172.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.1 p -73.22 26.69 0.06 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.522 175.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 96' ' ' THR . 7.1 t -82.78 -46.95 12.48 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.399 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.16 0.58 33.3 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.71 23.79 8.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.149 -0.526 . . . . 0.0 109.733 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.84 136.25 38.24 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.593 -0.731 . . . . 0.0 112.556 -175.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.248 0.986 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.316 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.619 -0.593 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.52 109.15 20.7 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.332 . . . . 0.0 110.665 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -100.8 -179.95 4.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.072 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.48 -165.54 12.54 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.729 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.18 160.37 32.99 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.919 2.413 . . . . 0.0 112.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -69.34 156.13 39.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.396 177.302 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -127.13 178.32 6.09 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.819 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.0 -46.36 88.36 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 109.993 -178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.602 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -58.36 -40.18 81.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.902 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.48 -26.73 66.52 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.796 0.331 . . . . 0.0 111.41 -176.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 79.5 mt -87.75 -50.61 6.36 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.261 0.553 . . . . 0.0 110.451 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.683 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 28.9 tp -73.76 -24.05 59.82 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.593 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.1 ptm180 -59.43 -38.61 81.1 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.255 0.55 . . . . 0.0 109.776 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 13.6 mm-40 -72.36 -20.85 61.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.772 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' HB2' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -84.34 2.69 39.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.585 177.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 51.1 mt -107.47 -175.78 2.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.687 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 77.6 p -80.43 167.08 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -65.54 -35.78 81.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.419 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -77.45 -35.02 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.655 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.438 HE22 ' HB3' ' A' ' 49' ' ' LYS . 39.5 mt-30 -57.03 -28.37 62.46 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.945 0.403 . . . . 0.0 110.71 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.1 mttt -64.24 -26.7 68.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 m -73.92 -41.4 62.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.146 0.498 . . . . 0.0 110.234 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.5 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.9 m80 -76.19 -18.73 58.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.755 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 9' ' ' GLU . 2.7 tm? -61.88 -55.25 31.69 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.1 -39.49 86.38 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.142 174.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 89.6 t90 -59.09 -47.25 85.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.726 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 30' ' ' ALA . 45.1 tp -68.82 -29.84 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.896 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.3 ttmm -60.97 -42.88 99.17 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 175.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -69.27 -37.6 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.57 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.9 -53.99 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.463 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.26 -33.52 61.29 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.33 -60.2 3.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.27 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -73.04 117.22 14.5 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.18 -28.31 69.05 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.04 -36.37 93.17 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.297 178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.38 -26.45 23.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.86 0.362 . . . . 0.0 110.39 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' O ' HD23 ' A' ' 41' ' ' LEU . 35.2 t80 -66.05 -38.59 88.72 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 174.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -46.75 -45.22 19.6 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.973 173.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -58.18 -28.29 64.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.892 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 86.2 t80 -75.1 -44.91 44.65 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.9 mm? -63.15 -23.85 67.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.653 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.99 27.92 9.43 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.014 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 18.7 m-85 -100.0 -174.29 2.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 117.239 0.52 . . . . 0.0 110.96 174.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 48' ' ' ILE . 6.9 t70 -72.26 135.7 46.1 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.404 ' O ' ' HD2' ' A' ' 49' ' ' LYS . 1.9 mt-10 -61.08 -33.06 72.74 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.018 -179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.7 m -69.24 -29.14 67.0 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.0 109.868 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -89.34 -30.94 18.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.926 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 44' ' ' ASP . 92.1 mt -62.62 -54.46 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.154 177.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HB3' HE22 ' A' ' 20' ' ' GLN . 17.8 mttp -59.9 -40.19 87.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.77 -0.195 . . . . 0.0 111.171 177.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.7 m -61.69 -44.16 97.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.581 0.229 . . . . 0.0 111.194 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.23 -50.37 74.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.825 0.345 . . . . 0.0 110.44 177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.82 -40.74 97.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.221 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.08 -36.75 85.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.765 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -67.78 -46.47 71.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.187 176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 51' ' ' ALA . 87.0 mt -54.33 -47.17 69.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.78 174.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -56.1 -44.78 79.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.001 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 61.8 m -61.11 -47.79 84.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -73.0 -47.75 42.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.952 0.406 . . . . 0.0 111.201 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.444 HD13 ' HD2' ' A' ' 74' ' ' PHE . 14.0 tp -65.95 -20.38 66.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.574 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.86 -21.96 50.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -66.48 -34.89 78.94 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.471 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 24.4 m -80.92 110.05 16.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.674 0.273 . . . . 0.0 110.919 -175.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -138.07 100.49 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.999 0.428 . . . . 0.0 110.086 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.05 -167.62 38.47 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.539 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -76.33 -44.07 38.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.163 0.506 . . . . 0.0 110.235 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -71.77 -18.74 62.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.492 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -60.01 -25.96 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.724 -177.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -60.88 -38.39 85.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.399 0.618 . . . . 0.0 110.078 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -83.44 -30.33 27.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.46 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.71 -45.73 92.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.981 0.42 . . . . 0.0 110.167 174.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 97.4 mttt -67.54 -20.32 65.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.975 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.451 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 90.3 m -86.39 -33.34 20.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.364 176.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.434 ' HA ' HE21 ' A' ' 76' ' ' GLN . 56.9 m -72.68 -35.06 67.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 177.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' HD2' HD13 ' A' ' 59' ' ' LEU . 17.9 t80 -61.18 -28.42 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.207 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 91.7 mttt -58.35 -38.04 76.39 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.643 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.434 HE21 ' HA ' ' A' ' 73' ' ' THR . 49.8 mt-30 -72.47 -31.98 65.86 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.697 -177.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 33.2 m -64.24 -44.4 91.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.611 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -68.97 -29.45 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.255 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.3 mt-30 -53.39 -51.6 62.0 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.038 0.446 . . . . 0.0 110.543 176.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.51 -24.41 60.79 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.015 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.03 -49.78 54.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.595 0.236 . . . . 0.0 111.416 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -80.53 -0.93 39.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.219 0.533 . . . . 0.0 111.376 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -89.69 -14.89 33.78 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.835 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.51 10.96 56.52 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.552 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.32 144.3 10.98 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.567 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -84.61 -9.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.443 0.639 . . . . 0.0 110.322 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -74.66 -40.75 61.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.716 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.73 15.42 62.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.288 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -75.66 117.8 17.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.457 . . . . 0.0 109.803 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.53 -162.2 24.29 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.1 m -71.38 -6.07 37.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 0.0 111.371 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -75.09 -30.33 60.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.44 0.638 . . . . 0.0 109.345 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.51 -55.66 2.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.161 -174.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -114.13 116.32 28.91 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.477 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.46 149.33 21.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.974 176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.471 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 4.8 p -92.25 109.44 20.82 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.22 0.533 . . . . 0.0 111.18 174.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.4 p -82.05 60.96 5.11 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 60.8 m -110.49 -5.1 15.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.756 177.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.24 125.99 5.65 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -74.0 121.59 21.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.358 0.599 . . . . 0.0 111.177 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -91.13 -55.12 1.89 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.179 176.042 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.63 124.0 29.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.99 0.424 . . . . 0.0 111.06 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.4 mmt -95.47 90.7 5.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.694 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.33 -164.41 12.05 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.118 176.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -86.12 -165.9 0.29 Allowed 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.344 2.696 . . . . 0.0 111.894 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.537 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.1 pttt -62.72 123.97 19.8 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.383 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.6 m -115.89 -163.14 0.87 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.148 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.8 mmtp -43.28 -50.68 6.52 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.335 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.73 -26.48 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.742 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' HG2' ' HA ' ' A' ' 6' ' ' LYS . 9.7 mp0 -69.24 -45.73 69.06 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 121.022 0.439 . . . . 0.0 110.16 176.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.4 mt -65.2 -36.55 84.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.401 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.5 tp -76.77 -36.82 56.79 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.835 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HA ' HD12 ' A' ' 16' ' ' LEU . 6.1 ptp180 -68.69 -18.68 64.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.082 -174.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -66.49 -28.03 68.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 111.048 174.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -86.95 1.59 52.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.369 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.603 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 76.8 mt -116.26 158.2 23.73 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.475 -176.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.2 m -77.2 174.22 10.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.283 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HA ' ' HD2' ' A' ' 21' ' ' LYS . 43.2 mt-10 -58.99 -36.81 75.52 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.29 0.567 . . . . 0.0 110.228 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -66.27 -52.12 50.68 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.836 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.603 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 47.3 mt-30 -67.03 -27.19 67.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.324 -175.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD2' ' HA ' ' A' ' 18' ' ' GLU . 61.9 mttm -60.67 -38.67 85.65 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.158 0.504 . . . . 0.0 110.071 174.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.1 m -80.64 -39.89 26.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.978 -178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -66.59 -26.62 67.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.703 0.287 . . . . 0.0 110.88 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.94 -44.84 91.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.205 0.526 . . . . 0.0 109.827 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.83 -39.34 83.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.941 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.194 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.51 -41.39 94.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.739 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -58.54 -49.09 78.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.492 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.92 -33.59 76.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.355 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.44 60.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.03 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.547 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 93.2 mt -68.08 -49.02 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.712 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.36 36.27 91.4 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.327 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 45.8 t-20 -150.27 130.25 13.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -56.93 -54.67 43.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.387 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.51 -40.88 94.41 Favored Glycine 0 N--CA 1.452 -0.287 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.599 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 33' ' ' ASN . 53.4 mt-10 -70.88 -38.33 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 117.033 0.417 . . . . 0.0 111.363 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 38.9 t80 -72.1 -37.2 69.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.112 0.482 . . . . 0.0 109.805 177.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 41' ' ' LEU . 28.1 t70 -57.55 -42.92 83.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.653 176.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 39' ' ' LYS . 18.4 tptp -60.27 -33.08 71.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.437 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.733 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 74.3 t80 -71.68 -39.02 70.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.145 0.497 . . . . 0.0 110.17 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 53.0 mt -64.99 -17.17 64.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.945 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.37 24.51 22.34 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.567 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.733 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 4.0 m-85 -89.28 -176.94 5.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.196 0.522 . . . . 0.0 111.058 176.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.541 ' O ' HG13 ' A' ' 48' ' ' ILE . 8.8 t0 -67.94 130.14 42.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.216 175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.54 -35.56 63.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.281 0.363 . . . . 0.0 111.446 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.415 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 2.4 m -67.82 -40.38 83.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.89 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 62.5 mttp -74.25 -36.5 63.88 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.462 -178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 44' ' ' ASP . 74.2 mt -56.64 -57.44 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.277 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.57 -41.32 89.91 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 78.4 m -60.97 -45.69 93.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.68 75.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 178.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.21 -41.16 97.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.642 -177.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 39.0 t70 -70.93 -34.35 71.42 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.651 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -63.42 -49.8 72.31 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.72 -49.74 55.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.11 173.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 24.5 tttm -53.94 -42.92 69.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.514 177.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 51.7 m -68.57 -51.5 42.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.347 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.521 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.1 mm-40 -61.65 -51.64 67.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.915 0.388 . . . . 0.0 111.392 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.442 HD13 ' HD2' ' A' ' 74' ' ' PHE . 38.9 tp -59.45 -29.98 68.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.429 -175.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -73.94 -30.6 62.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.134 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 57' ' ' SER . 99.6 mttt -59.56 -36.78 76.84 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.106 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.498 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 16.3 m -85.7 101.17 12.52 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.371 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -146.18 111.27 5.33 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.714 0.769 . . . . 0.0 109.288 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . 170.21 -163.28 36.59 Favored Glycine 0 C--N 1.314 -0.687 0 CA-C-N 114.843 -1.072 . . . . 0.0 110.857 -176.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -74.79 -18.34 60.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.262 0.531 . . . . 0.0 111.252 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.71 11.15 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.977 0.417 . . . . 0.0 110.817 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.426 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -64.89 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.682 -175.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.75 -44.86 66.75 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.302 0.572 . . . . 0.0 111.067 -177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -68.53 -53.56 22.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.352 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.87 -37.26 83.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.441 -176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.59 -38.74 91.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.928 0.394 . . . . 0.0 110.449 176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.557 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 95.9 m -72.66 -38.57 67.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.7 m -65.78 -31.66 72.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.23 0.538 . . . . 0.0 110.381 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.493 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -66.33 -34.0 76.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.457 177.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 73.0 mttt -56.41 -45.59 80.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 173.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -66.62 -35.65 80.68 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.281 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.9 m -62.72 -52.34 63.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.822 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 74' ' ' PHE . 39.8 t -63.59 -35.17 71.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.547 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.6 tm0? -51.86 -54.06 33.47 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.846 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.89 -27.75 68.23 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.698 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -50.35 65.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.875 0.369 . . . . 0.0 111.162 -178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.1 mt -77.91 -4.6 47.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 111.663 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 64.3 m -82.36 -15.8 51.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.935 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.09 -41.75 4.23 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.404 174.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.94 137.01 2.93 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 89' ' ' PHE . 16.6 tt -71.74 -15.62 18.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.278 0.561 . . . . 0.0 110.848 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.14 -35.51 77.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.734 -177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.78 14.9 34.66 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.247 178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 86' ' ' ILE . 50.9 t80 -72.71 125.28 27.13 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.126 0.489 . . . . 0.0 110.189 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.35 -157.14 28.81 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.9 p -69.93 3.61 2.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.362 0.581 . . . . 0.0 111.201 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -78.71 -38.56 38.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.037 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -126.74 -29.14 2.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -119.86 113.04 19.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.937 0.398 . . . . 0.0 111.314 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.02 146.82 20.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.046 177.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.521 HG23 ' HB3' ' A' ' 58' ' ' GLU . 2.1 p -82.53 103.09 11.81 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.278 0.561 . . . . 0.0 111.097 174.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.3 p -73.27 73.71 1.31 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.973 174.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 72.7 m -122.82 89.02 3.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.507 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.5 -66.18 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.076 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -134.05 91.01 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -176.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 75.34 -49.04 2.23 Favored Glycine 0 C--N 1.332 0.326 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 -174.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.5 m . . . . . 0 C--O 1.251 1.135 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.014 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.17 145.52 2.81 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.0 ttt -84.51 -13.73 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.434 0.635 . . . . 0.0 109.878 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.83 -162.18 12.96 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.341 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -69.07 160.17 50.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.584 2.19 . . . . 0.0 111.131 176.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.759 ' HE3' ' HG3' ' A' ' 10' ' ' GLU . 16.3 ptmt -68.94 142.48 54.7 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.61 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 t -92.55 -179.65 5.25 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.162 -170.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' A' ' 41' ' ' LEU . 60.4 mtpt -57.43 -38.99 75.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.68 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.489 ' HB2' HD11 ' A' ' 24' ' ' LEU . 13.3 pt-20 -65.18 -33.33 75.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 0.0 110.504 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.759 ' HG3' ' HE3' ' A' ' 6' ' ' LYS . 20.5 tp10 -79.35 -36.36 39.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.089 -177.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 HD23 ' HE2' ' A' ' 6' ' ' LYS . 94.2 mt -69.26 -46.42 67.31 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.998 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.633 HD21 HG21 ' A' ' 48' ' ' ILE . 54.5 tp -73.56 -31.83 63.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.979 -175.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 9.3 ptm180 -63.83 -23.1 67.22 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.437 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.41 -26.92 68.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.626 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -86.78 -15.35 39.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.552 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 68.2 mt -92.59 169.52 10.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.327 -171.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.636 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 32.0 t -82.25 175.49 10.24 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.47 175.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.14 -32.81 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.49 0.662 . . . . 0.0 109.889 -173.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.08 -43.56 52.44 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.695 -1.139 . . . . 0.0 110.495 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -57.04 -34.73 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.061 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.636 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.3 mttt -62.29 -33.79 75.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.693 0.282 . . . . 0.0 111.261 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 m -66.68 -43.1 85.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.16 0.505 . . . . 0.0 110.433 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 43.5 m80 -77.95 -22.15 49.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.766 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.3 tm? -59.36 -53.24 60.51 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 173.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 24.1 t70 -67.11 -39.95 86.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.51 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 84.4 t90 -54.15 -48.17 71.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.766 177.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD23 ' HG ' ' A' ' 31' ' ' LEU . 2.1 tt -63.1 -36.33 83.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.299 -176.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -61.47 -52.57 63.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.596 176.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 4.6 mm-40 -64.51 -28.85 69.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.915 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.14 -46.1 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.999 178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.526 ' HG ' HD23 ' A' ' 27' ' ' LEU . 67.2 mt -70.03 -32.08 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.614 179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.72 40.46 96.59 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.324 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -156.62 179.46 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.024 0.44 . . . . 0.0 110.896 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -105.04 -43.38 5.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.752 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.46 -56.05 19.64 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.569 -0.741 . . . . 0.0 114.181 -175.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.35 -41.14 96.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.738 0.769 . . . . 0.0 111.578 -175.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.419 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 62.8 t80 -73.14 -27.95 61.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.403 . . . . 0.0 110.013 -178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.576 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 11.2 t70 -55.56 -50.07 71.01 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.268 0.556 . . . . 0.0 110.424 171.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.18 -41.06 87.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.639 -179.376 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -60.27 -38.99 85.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.975 0.416 . . . . 0.0 110.511 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 ' HB2' ' HE2' ' A' ' 8' ' ' LYS . 78.3 mt -74.17 -13.84 60.87 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.052 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -110.36 48.74 0.91 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.078 -0.582 . . . . 0.0 112.377 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -123.24 -170.33 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.031 0.443 . . . . 0.0 111.086 176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.87 134.63 40.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.863 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.96 -35.76 67.06 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 m -69.79 -28.41 65.72 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -86.73 -34.63 19.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 0.0 110.707 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.633 HG21 HD21 ' A' ' 12' ' ' LEU . 95.6 mt -66.03 -51.3 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.599 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -64.56 -35.83 82.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.74 0.305 . . . . 0.0 110.96 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -64.65 -44.53 90.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.44 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.62 90.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.79 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.8 -48.74 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.644 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.3 -31.73 72.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.833 0.349 . . . . 0.0 110.593 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -68.0 -50.74 53.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.233 175.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 74' ' ' PHE . 57.6 mt -53.44 -47.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.521 0.677 . . . . 0.0 109.95 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 48.7 tttt -53.17 -48.95 67.6 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.451 -1.249 . . . . 0.0 111.393 175.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 55.1 m -59.07 -47.05 86.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.035 179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.556 ' HB3' HG23 ' A' ' 96' ' ' THR . 58.5 mm-40 -63.64 -47.43 81.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.53 -32.57 70.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.281 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -75.97 -18.69 59.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.507 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 57' ' ' SER . 97.3 mttt -71.63 -40.82 69.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 0.0 110.106 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.1 m -92.61 75.07 5.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.757 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -122.21 86.17 2.54 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.858 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.595 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -149.99 -149.19 4.95 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.666 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -67.57 -55.4 13.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.036 0.446 . . . . 0.0 110.759 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -92.86 41.37 1.08 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.436 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.716 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -58.91 -45.0 91.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.894 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.33 -42.64 91.94 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.689 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.425 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 14.9 tp60 -59.75 -44.53 93.77 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.756 -175.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -70.56 -43.61 69.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.682 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.716 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.0 mttm -60.83 -37.97 83.86 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.926 0.393 . . . . 0.0 110.43 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.546 ' HA ' ' CD ' ' A' ' 75' ' ' LYS . 51.7 m -71.01 -35.8 72.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.509 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.8 m -67.1 -31.62 72.22 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.45 0.643 . . . . 0.0 109.633 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.415 ' HE1' HG23 ' A' ' 55' ' ' ILE . 7.6 t80 -69.58 -28.92 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.416 177.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' CD ' ' HA ' ' A' ' 72' ' ' THR . 85.8 mttt -58.89 -43.65 91.03 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.265 0.555 . . . . 0.0 109.892 173.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.43 -24.69 62.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.245 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 40.2 m -70.88 -50.24 37.21 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.519 178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.33 -33.2 59.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.939 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -51.8 -52.98 45.05 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.118 0.485 . . . . 0.0 111.055 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.16 -22.51 65.36 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.063 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.71 56.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.771 0.319 . . . . 0.0 111.273 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 90.6 mt -79.44 -5.01 53.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.196 0.522 . . . . 0.0 111.395 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.9 t -74.2 -24.33 59.34 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.79 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.24 5.22 52.33 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.044 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 108.28 147.73 13.08 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.725 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -81.7 -6.65 10.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.222 0.534 . . . . 0.0 110.595 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -74.42 -36.44 63.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.854 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.83 15.32 62.84 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.657 177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -80.16 144.4 33.05 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.294 0.569 . . . . 0.0 109.761 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 145.96 -152.02 24.17 Favored Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.604 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 p -69.11 1.61 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.001 0.429 . . . . 0.0 112.093 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -83.94 -45.57 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.391 177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.5 p-10 -122.25 -12.71 8.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -171.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.84 102.37 5.83 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.007 0.432 . . . . 0.0 111.011 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.8 m -140.43 148.22 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.978 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.648 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 4.0 p -93.58 111.75 23.49 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.142 0.496 . . . . 0.0 110.779 172.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.412 HG22 ' HA3' ' A' ' 101' ' ' GLY . 16.9 p -80.41 50.66 1.31 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.628 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.648 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 28.4 m -61.33 -38.6 87.48 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.789 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.24 -66.83 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -114.21 129.57 56.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.688 0.28 . . . . 0.0 110.57 178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.412 ' HA3' HG22 ' A' ' 97' ' ' THR . . . -156.22 -43.02 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.954 177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.6 p . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.763 178.534 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 112.104 -0.398 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.0 -49.84 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.427 ' O ' ' HG3' ' A' ' 3' ' ' MET . 24.0 ptt? -142.02 111.66 6.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.003 172.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.65 -141.88 6.79 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.388 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -84.89 175.78 6.51 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.693 2.262 . . . . 0.0 111.89 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.48 ' HA ' ' HG3' ' A' ' 10' ' ' GLU . 24.6 pttm -68.37 123.91 22.06 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.147 0.498 . . . . 0.0 110.067 177.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 p -110.23 -168.51 1.33 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.053 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -52.35 -39.75 61.1 Favored 'General case' 0 N--CA 1.463 0.187 0 O-C-N 123.365 0.416 . . . . 0.0 111.085 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 41' ' ' LEU . 11.4 pt-20 -57.36 -44.12 84.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.552 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 22.9 mm-40 -68.02 -51.2 49.72 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.5 mt -60.7 -33.3 72.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.16 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.641 HD21 HG21 ' A' ' 48' ' ' ILE . 55.1 tp -83.08 -39.77 20.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.31 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.598 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 39.2 ptt180 -72.76 -7.05 48.73 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.831 -173.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 44.5 mt-10 -62.39 -37.53 86.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.266 0.555 . . . . 0.0 109.578 168.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -89.3 -14.47 35.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.786 -177.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.6 mt -84.1 156.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.803 0.335 . . . . 0.0 110.807 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.55 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 9.2 m -78.56 168.94 19.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.976 176.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.79 -36.11 81.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.302 0.572 . . . . 0.0 110.201 -178.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.533 ' OD1' ' HB2' ' A' ' 17' ' ' SER . 5.6 p-10 -66.01 -37.86 86.98 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.696 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.07 -37.73 72.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.449 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 98.9 mttt -60.2 -35.29 75.07 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.512 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -62.91 -45.93 90.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -82.73 -17.43 44.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.558 -177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.49 -47.5 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 28.2 t70 -62.53 -39.92 95.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.216 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -58.27 -43.16 87.8 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.1 175.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.36 -33.24 75.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.823 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 23.4 ttmm -58.48 -45.22 89.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 109.746 175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -71.28 -38.25 71.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.523 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.421 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -61.36 -47.57 85.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.56 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 37' ' ' PHE . 86.6 mt -78.09 -27.63 48.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.163 0.506 . . . . 0.0 110.111 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.46 -64.06 3.59 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.112 177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.69 ' HB3' ' HG2' ' A' ' 36' ' ' GLU . 27.7 t30 -72.74 115.04 11.55 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.5 -30.4 67.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.269 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.22 -45.98 94.07 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.644 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.69 ' HG2' ' HB3' ' A' ' 33' ' ' ASN . 8.6 pt-20 -82.0 -17.37 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.308 -0.524 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.55 ' HA ' HD12 ' A' ' 31' ' ' LEU . 35.7 t80 -69.95 -40.82 75.22 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 171.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -50.38 -41.7 52.34 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.072 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -48.68 -43.95 37.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.733 -1.121 . . . . 0.0 112.208 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.596 ' CE2' HG23 ' A' ' 48' ' ' ILE . 91.4 t80 -55.66 -44.68 77.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.782 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 41' ' ' LEU . 2.5 mm? -65.79 -23.88 66.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.664 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.52 40.41 3.07 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.942 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -125.79 -174.97 3.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.723 0.297 . . . . 0.0 110.841 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 48' ' ' ILE . 10.6 t70 -74.9 139.82 43.36 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.065 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -54.74 -36.74 65.1 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.364 0.415 . . . . 0.0 110.978 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.8 m -63.06 -39.31 94.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.598 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HD3' HG23 ' A' ' 86' ' ' ILE . 61.3 mttp -78.32 -40.11 37.61 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.168 0.509 . . . . 0.0 109.999 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.641 HG21 HD21 ' A' ' 12' ' ' LEU . 79.4 mt -62.36 -52.86 54.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.923 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.14 -34.02 77.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.95 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.3 m -67.35 -41.47 85.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.606 0.241 . . . . 0.0 110.446 176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.28 -50.13 74.26 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.78 -44.75 95.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.245 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.23 -30.76 69.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.001 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -65.51 -48.36 72.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.465 HG23 ' HE1' ' A' ' 74' ' ' PHE . 89.3 mt -52.86 -44.95 49.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 121.316 0.579 . . . . 0.0 109.852 175.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -60.69 -45.74 93.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.218 176.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.2 m -63.44 -34.69 78.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.301 -178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.571 ' HB3' HG23 ' A' ' 96' ' ' THR . 76.0 mm-40 -68.29 -52.9 28.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.964 0.412 . . . . 0.0 110.402 174.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -61.77 -18.04 58.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.018 0.437 . . . . 0.0 111.207 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -69.91 -22.8 63.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.78 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -80.14 -29.78 38.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.419 0.628 . . . . 0.0 110.308 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.604 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 76.6 m -86.84 94.1 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.56 -171.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -133.61 96.55 3.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.051 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 147.76 -138.51 7.18 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 119.583 -1.294 . . . . 0.0 114.403 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.571 ' ND2' ' H ' ' A' ' 66' ' ' ASP . 2.9 p-10 -61.56 -84.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -170.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.571 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 5.1 m-20 -82.46 14.26 3.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.483 . . . . 0.0 111.031 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -66.01 -49.06 69.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.762 -176.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.545 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 10.7 m-20 -67.32 -23.77 65.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.771 -175.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 69' ' ' GLN . 12.3 tp60 -73.92 -42.24 60.9 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HB2' ' SG ' ' A' ' 98' ' ' CYS . 11.3 mm100 -66.91 -34.1 77.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.325 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 88.4 mttt -57.36 -38.68 74.56 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.379 0.609 . . . . 0.0 109.827 174.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 47.0 m -70.49 -42.51 71.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.023 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.6 m -68.26 -29.26 68.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.222 0.534 . . . . 0.0 110.956 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.465 ' HE1' HG23 ' A' ' 55' ' ' ILE . 21.9 t80 -62.01 -25.49 67.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.045 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 96.8 mttt -57.44 -36.82 71.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.196 0.522 . . . . 0.0 110.727 176.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.53 -30.37 46.99 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.697 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 22.6 m -64.89 -43.45 92.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.194 175.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 89.1 t -60.61 -39.93 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.321 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -58.95 -36.55 74.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.412 176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -84.66 -15.26 68.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.605 -179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.12 -22.45 19.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.944 0.402 . . . . 0.0 111.197 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 93.5 mt -106.62 25.64 10.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.315 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.9 m -55.76 -43.6 76.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.398 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -156.59 37.32 0.58 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.288 -0.958 . . . . 0.0 112.891 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 169.53 130.57 1.22 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.973 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.427 HG23 ' HD3' ' A' ' 47' ' ' LYS . 12.4 tt -95.41 -18.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 110.907 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -77.54 -14.06 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.344 0.592 . . . . 0.0 110.347 -176.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.94 14.54 44.92 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.903 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -81.87 109.72 16.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.25 -162.45 16.43 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.515 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 p -75.1 2.17 11.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.013 0.435 . . . . 0.0 111.811 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.7 -38.31 54.6 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -109.13 -61.74 1.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.65 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.453 ' HA ' ' CG2' ' A' ' 77' ' ' THR . . . -89.74 107.08 18.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.449 -171.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.79 139.97 41.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.569 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.571 HG23 ' HB3' ' A' ' 58' ' ' GLU . 2.2 p -77.16 105.71 8.43 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.9 174.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.2 p -72.09 49.3 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.878 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 70' ' ' GLN . 71.2 m -88.9 97.87 11.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.22 63.59 1.42 Allowed Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.458 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -81.5 -10.82 59.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.797 0.332 . . . . 0.0 110.416 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 122.04 175.02 14.75 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.702 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.252 1.203 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.293 179.806 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.97 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.34 14.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.919 0.39 . . . . 0.0 111.122 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.9 mtt -109.29 119.95 41.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.03 -178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' HA2' ' HD3' ' A' ' 5' ' ' PRO . . . -127.51 133.67 7.98 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.859 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.439 ' HD3' ' HA2' ' A' ' 4' ' ' GLY . 6.3 Cg_exo -78.68 172.01 15.79 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.048 2.499 . . . . 0.0 111.619 176.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.489 ' CB ' ' HG2' ' A' ' 10' ' ' GLU . 17.7 ptmt -68.25 139.04 55.98 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.214 0.531 . . . . 0.0 111.219 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.594 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 21.0 m -125.35 -162.67 1.13 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.343 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -55.3 -46.83 76.22 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.594 ' OE1' ' HB2' ' A' ' 7' ' ' SER . 0.0 OUTLIER -68.49 -38.19 80.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.811 0.338 . . . . 0.0 110.11 -179.005 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 3.0 tp10 -63.57 -38.62 91.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.362 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 7' ' ' SER . 57.4 mt -69.85 -43.51 71.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.411 0.624 . . . . 0.0 110.563 176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.86 HD21 HG21 ' A' ' 48' ' ' ILE . 60.4 tp -72.08 -31.76 66.39 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.709 -175.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.616 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 5.5 ptm180 -68.95 -18.42 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.015 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 29.5 mt-10 -70.47 -24.7 62.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.337 0.589 . . . . 0.0 109.724 173.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -87.35 -19.83 27.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.394 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 59.4 mt -91.42 175.05 7.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.137 -172.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.572 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 34.2 m -73.17 167.87 20.28 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 168.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.73 -26.77 57.76 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.356 0.598 . . . . 0.0 109.58 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -72.28 -42.51 65.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.629 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.4 mt-30 -60.64 -29.7 69.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.048 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 17' ' ' SER . 96.6 mttt -57.17 -43.17 82.36 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.306 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.1 m -71.4 -33.53 69.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.105 0.479 . . . . 0.0 111.231 -176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -75.8 -20.68 58.03 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.053 0.454 . . . . 0.0 110.433 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.31 -43.22 74.19 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.04 -47.17 86.2 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.041 173.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -55.98 -43.55 77.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.812 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.53 -32.56 74.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -61.32 -43.78 98.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -71.17 -32.53 69.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.096 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.79 70.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.356 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 37' ' ' PHE . 58.8 mt -73.73 -22.08 60.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.045 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.88 -62.09 3.98 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.346 176.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -85.95 124.72 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -67.44 -20.91 65.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.843 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.03 -20.74 76.55 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.527 -0.761 . . . . 0.0 112.248 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -97.06 -28.25 14.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.753 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' HA ' HD12 ' A' ' 31' ' ' LEU . 60.2 t80 -69.12 -29.5 67.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.648 174.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -53.1 -43.5 66.88 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.054 -0.976 . . . . 0.0 110.908 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tptm -54.81 -42.21 71.56 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.391 -178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -66.71 -33.24 75.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.368 0.604 . . . . 0.0 110.389 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 51.9 mt -80.12 10.67 4.11 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.709 -176.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.68 25.18 5.66 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.361 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -106.74 178.4 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 0.0 111.829 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -59.12 129.23 41.14 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.38 174.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 5.8 mt-10 -61.2 -23.61 65.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.26 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.2 t -71.5 -38.47 71.16 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -74.57 -41.66 60.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.129 0.49 . . . . 0.0 109.854 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.86 HG21 HD21 ' A' ' 12' ' ' LEU . 65.7 mt -55.15 -58.18 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.889 -1.05 . . . . 0.0 112.085 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 53.6 mttp -59.15 -40.43 85.54 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.5 m -62.99 -38.85 92.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.836 0.35 . . . . 0.0 110.987 179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.49 -46.22 90.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.264 175.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.64 -39.48 80.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.244 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.87 -42.67 90.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.826 0.346 . . . . 0.0 110.475 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.88 -48.48 74.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.193 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 51' ' ' ALA . 75.7 mt -53.48 -46.68 59.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 175.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -61.94 -45.45 93.62 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 47.8 t -56.57 -50.78 70.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.757 0.313 . . . . 0.0 110.643 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.574 ' HB3' HG23 ' A' ' 96' ' ' THR . 60.2 mm-40 -60.82 -39.95 90.93 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.346 0.593 . . . . 0.0 111.254 178.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -76.12 -27.34 57.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.584 -178.33 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.68 -26.66 29.64 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -76.69 -18.62 58.43 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 96.9 m -90.78 87.07 6.52 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.957 173.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -138.68 16.15 2.71 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.271 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.29 -139.93 4.43 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.801 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -71.41 -67.71 0.5 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.259 0.552 . . . . 0.0 111.078 -173.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -93.35 35.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.353 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.61 -37.6 73.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.239 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.27 -39.89 73.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.157 0.503 . . . . 0.0 110.768 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 4.9 tp60 -72.03 -39.19 69.32 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -178.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -63.26 -43.11 98.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.776 176.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -61.63 -35.64 78.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.3 m -73.43 -41.58 63.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.938 178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.435 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 27.5 m -70.0 -31.26 68.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' CD1' HD13 ' A' ' 59' ' ' LEU . 18.4 t80 -63.69 -23.82 67.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.967 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -58.86 -37.63 76.95 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.092 0.472 . . . . 0.0 110.505 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 32.7 mt-30 -73.76 -33.74 64.42 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.348 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.9 m -65.67 -46.95 77.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.83 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.61 -33.13 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.781 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 83' ' ' SER . 2.6 mm-40 -56.21 -47.18 78.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.028 0.442 . . . . 0.0 110.762 175.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.9 -7.63 87.43 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.026 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.95 -50.55 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.65 0.262 . . . . 0.0 110.993 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 91.7 mt -87.9 16.13 6.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.077 0.465 . . . . 0.0 111.331 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.48 ' HB2' ' O ' ' A' ' 79' ' ' GLN . 10.2 t -87.78 41.29 0.98 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.365 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.03 -28.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 119.917 -1.135 . . . . 0.0 113.649 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -174.73 148.03 9.47 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 119.932 -1.128 . . . . 0.0 112.746 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.8 tt -100.08 -14.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.546 0.689 . . . . 0.0 109.962 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.88 -24.88 59.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.936 -176.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.22 7.69 58.62 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.189 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -77.3 121.84 24.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.042 0.449 . . . . 0.0 110.504 -177.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.74 -159.08 25.54 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 m -70.88 1.9 4.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.0 111.313 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -81.91 -37.25 27.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.345 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -126.78 -20.08 4.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.112 -0.494 . . . . 0.0 112.189 -174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -127.86 116.44 20.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.564 0.221 . . . . 0.0 111.016 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -146.82 154.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.974 0.416 . . . . 0.0 111.313 178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 58' ' ' GLU . 8.7 p -92.92 127.29 38.37 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.699 166.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 p -72.17 21.11 0.06 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.472 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.401 ' H ' ' C ' ' A' ' 96' ' ' THR . 45.4 m -70.04 110.61 5.19 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 121.57 0.7 . . . . 0.0 109.958 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.22 60.55 0.21 Allowed Glycine 0 N--CA 1.444 -0.831 0 N-CA-C 108.158 -1.977 . . . . 0.0 108.158 -165.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.43 110.09 5.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.814 -0.693 . . . . 0.0 111.914 -164.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.5 106.11 1.26 Allowed Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.648 175.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.641 -176.795 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.73 0 N-CA-C 111.874 -0.491 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.42 171.09 8.62 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -146.46 148.51 32.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.682 0.277 . . . . 0.0 110.582 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.59 -156.56 26.32 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.647 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.05 141.34 18.66 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.631 2.221 . . . . 0.0 111.752 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' ' 10' ' ' GLU . 39.4 mtmt -69.04 139.74 54.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.897 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.455 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 8.2 m -65.35 166.09 10.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.784 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -59.41 -33.93 71.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.842 0.353 . . . . 0.0 110.404 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 12.4 pt-20 -62.49 -37.14 84.82 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.328 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.606 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.6 tm-20 -67.57 -42.96 81.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.406 -176.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.8 mt -71.56 -35.2 70.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.15 0.5 . . . . 0.0 110.475 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.714 HD21 HG21 ' A' ' 48' ' ' ILE . 56.3 tp -74.28 -44.29 53.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.592 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -61.85 -22.13 65.26 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.422 -174.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 11.8 mm-40 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.033 0.444 . . . . 0.0 110.884 177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -100.18 -0.23 39.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.015 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 39.0 mt -99.15 172.03 7.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.621 -177.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.553 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 64.8 p -90.86 169.76 10.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.929 175.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.88 -34.4 75.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.207 0.527 . . . . 0.0 109.777 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.56 -61.15 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.182 173.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.9 mt-30 -59.75 -38.57 82.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.688 -1.142 . . . . 0.0 111.877 -175.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 86.2 mttt -62.33 -36.37 81.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.778 179.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.2 m -68.59 -44.55 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.922 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 65.3 m80 -73.52 -17.26 61.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.571 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.1 -44.78 91.26 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 172.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -64.56 -38.85 92.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.396 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -63.43 -47.77 80.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.259 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 30' ' ' ALA . 38.1 tp -65.19 -24.26 67.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.829 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 28' ' ' LYS . 35.6 ttmt -60.17 -43.45 95.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -77.01 -33.57 57.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.238 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -62.57 -44.76 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.62 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 36' ' ' GLU . 87.8 mt -83.79 -18.65 36.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.44 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.05 -62.25 4.02 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.492 171.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -92.92 144.95 24.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.879 0.371 . . . . 0.0 110.536 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -60.21 -36.17 77.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.166 176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.62 96.76 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.65 177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 31' ' ' LEU . 25.8 mm-40 -76.54 -28.34 56.27 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 122.501 -0.411 . . . . 0.0 111.448 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 5.7 t80 -73.52 -35.69 65.6 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -57.32 -38.16 73.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.164 174.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 3.2 tppp? -49.8 -51.96 35.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.665 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.509 ' CE2' HG23 ' A' ' 48' ' ' ILE . 90.4 t80 -69.53 -35.85 75.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.021 -178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 77.6 mt -74.57 2.23 10.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.818 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -112.93 29.07 8.33 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -114.14 -177.04 3.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.169 0.509 . . . . 0.0 112.014 -179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 48' ' ' ILE . 7.9 t70 -71.37 136.95 48.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.296 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -55.45 -38.0 68.47 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 123.291 0.369 . . . . 0.0 111.086 176.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 m -61.85 -34.62 76.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.12 0.486 . . . . 0.0 110.034 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.477 ' HD3' HG23 ' A' ' 86' ' ' ILE . 99.4 mttt -86.81 -37.68 17.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.563 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.714 HG21 HD21 ' A' ' 12' ' ' LEU . 76.3 mt -61.89 -51.84 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.544 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.479 ' HE2' HD23 ' A' ' 16' ' ' LEU . 89.2 mttt -65.14 -29.97 70.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 111.261 -177.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.1 m -71.76 -42.22 67.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.676 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.33 -47.41 82.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.72 -38.73 91.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.279 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.4 -37.73 87.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.679 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.491 177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.473 HG22 HD22 ' A' ' 59' ' ' LEU . 66.9 mt -53.68 -39.5 38.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.513 176.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 30.4 ttpt -63.01 -36.11 82.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.177 178.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -61.55 -55.89 26.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.119 0.485 . . . . 0.0 110.096 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.496 ' HB3' HG23 ' A' ' 96' ' ' THR . 21.2 mm-40 -62.92 -32.69 74.04 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.238 -176.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -76.27 -26.84 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.331 177.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -76.64 -38.83 53.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.418 0.628 . . . . 0.0 109.89 175.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -62.85 -17.75 61.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.531 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.3 t -121.22 100.1 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -136.37 108.64 7.29 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.979 0.895 . . . . 0.0 109.933 -177.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.49 -166.07 39.29 Favored Glycine 0 C--N 1.315 -0.611 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.591 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -78.73 -25.29 44.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.35 0.575 . . . . 0.0 110.39 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -83.38 -17.45 42.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.207 0.527 . . . . 0.0 110.054 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -60.26 -32.56 71.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.882 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.81 -42.1 75.15 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.234 0.54 . . . . 0.0 110.437 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -72.22 -46.78 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.416 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -63.15 -37.13 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.76 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.1 mttm -65.54 -34.56 78.55 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.551 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 77.7 m -73.46 -37.42 65.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.659 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 36.0 m -69.85 -36.85 75.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.211 0.529 . . . . 0.0 110.767 174.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.455 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.9 t80 -62.74 -32.4 73.53 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.241 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 87.7 mttt -51.84 -50.45 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.488 0.661 . . . . 0.0 110.704 173.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.78 -29.12 66.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.638 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.7 m -66.75 -46.38 75.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.572 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 74' ' ' PHE . 93.6 t -61.6 -35.55 67.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.1 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -52.46 -48.86 65.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.974 0.416 . . . . 0.0 110.806 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.64 -20.7 68.06 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.297 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.83 50.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.885 0.374 . . . . 0.0 111.078 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 97.3 mt -106.01 30.56 5.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.002 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 p -63.34 -38.43 91.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.905 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.83 47.69 0.36 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 119.994 -1.098 . . . . 0.0 113.112 -176.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 158.46 149.36 5.46 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.684 -0.769 . . . . 0.0 111.624 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.477 HG23 ' HD3' ' A' ' 47' ' ' LYS . 18.2 tt -112.86 -28.72 2.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 117.026 0.413 . . . . 0.0 111.144 -178.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -78.93 -12.87 60.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 0.0 110.719 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.55 -5.56 74.88 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 172.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -83.47 129.32 34.98 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 110.077 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 163.76 -155.26 26.55 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -67.64 -1.41 5.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.081 0.467 . . . . 0.0 111.228 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -79.83 -32.67 40.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.497 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.6 p-10 -138.12 -10.93 1.49 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -131.57 103.72 6.55 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.805 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 m -138.09 147.64 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 120.902 0.382 . . . . 0.0 111.628 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 58' ' ' GLU . 20.1 p -96.64 118.13 32.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.082 169.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.9 p -78.86 31.05 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.92 178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.9 m -81.71 87.7 6.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.998 0.427 . . . . 0.0 111.346 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.57 -67.36 0.96 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.786 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -154.2 157.09 38.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 162.94 -78.16 0.15 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.079 -0.582 . . . . 0.0 111.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.759 -0.638 . . . . 0.0 109.536 178.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.567 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.67 72.08 0.31 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.14 0.495 . . . . 0.0 111.669 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.426 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 2.8 tpt -88.33 -7.06 57.3 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.532 -178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.52 -163.88 17.7 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.337 -0.935 . . . . 0.0 112.03 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -78.99 -171.64 1.31 Allowed 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.683 2.255 . . . . 0.0 111.066 176.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 24.1 mtmm -59.11 115.49 3.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 173.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.723 ' HB2' ' HG2' ' A' ' 9' ' ' GLU . 6.8 m -83.41 171.11 13.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.658 -169.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -64.53 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.723 ' HG2' ' HB2' ' A' ' 7' ' ' SER . 13.5 pt-20 -63.61 -25.29 68.16 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.95 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 32.2 tt0 -86.77 -42.51 13.26 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.989 -175.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -68.37 -36.58 79.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.28 0.562 . . . . 0.0 110.196 178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.674 HD21 HG21 ' A' ' 48' ' ' ILE . 58.3 tp -75.71 -29.89 59.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.072 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.681 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 9.7 ptm180 -72.45 -15.27 61.82 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.077 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 36.7 mt-10 -71.09 -26.2 62.94 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 170.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' OE1' ' A' ' 45' ' ' GLU . 26.6 mmtp -87.73 -23.04 24.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.233 -177.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.584 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 87.8 mt -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.184 -171.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.633 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 2.4 p -83.85 179.32 7.59 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.874 174.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.03 -33.02 73.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.388 0.613 . . . . 0.0 111.079 -170.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -70.98 -43.04 68.85 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.364 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.584 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 16.0 mm-40 -62.49 -42.01 99.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.314 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.681 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 90.1 mttt -58.87 -33.97 71.09 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.926 0.393 . . . . 0.0 111.181 -178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 50.3 m -64.21 -42.11 96.75 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.852 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -84.98 -22.33 29.16 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.99 0.424 . . . . 0.0 110.832 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -50.64 72.79 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -69.9 -31.28 68.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.597 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.1 -45.85 93.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.039 0.447 . . . . 0.0 110.351 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' CD1' HG11 ' A' ' 78' ' ' VAL . 48.9 tp -60.15 -29.63 68.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.995 -178.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -59.77 -41.94 92.18 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.737 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -78.1 -32.42 50.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.92 -56.57 19.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.34 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 37' ' ' PHE . 74.6 mt -64.14 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.754 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.35 -44.99 3.43 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.853 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -100.4 127.15 46.8 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.725 0.298 . . . . 0.0 110.945 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.41 -43.33 79.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.865 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.16 -34.57 90.28 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.899 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.89 -33.3 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.496 -0.414 . . . . 0.0 110.372 177.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.472 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 54.3 t80 -66.33 -30.22 70.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.045 176.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.8 t70 -54.37 -40.49 68.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.813 176.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -52.73 -43.62 65.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.856 -1.065 . . . . 0.0 111.632 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.437 ' CE1' HG23 ' A' ' 48' ' ' ILE . 86.6 t80 -69.25 -32.35 71.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.314 0.578 . . . . 0.0 111.096 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 38' ' ' ASP . 42.8 mt -72.89 -10.1 59.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.086 -174.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -104.45 24.93 27.44 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.05 -177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -106.52 -179.27 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.032 0.444 . . . . 0.0 112.196 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' O ' HG13 ' A' ' 48' ' ' ILE . 37.8 t70 -71.31 140.12 50.17 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.184 179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' A' ' 15' ' ' LYS . 30.9 mt-10 -56.32 -41.08 75.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.491 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.461 ' HB3' ' OD2' ' A' ' 44' ' ' ASP . 31.1 t -68.22 -30.64 69.76 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -81.7 -40.37 22.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.01 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.674 HG21 HD21 ' A' ' 12' ' ' LEU . 69.3 mt -61.58 -54.05 40.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.687 178.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.621 -177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.1 m -73.15 -41.26 64.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.563 0.221 . . . . 0.0 110.574 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -47.34 85.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.85 0.357 . . . . 0.0 110.682 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.2 mt -61.96 -45.62 92.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 20.7 t70 -66.17 -28.62 68.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.953 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.01 -48.93 64.38 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 174.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -55.04 -45.69 76.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.463 0.649 . . . . 0.0 109.356 173.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 53' ' ' ASP . 28.1 tttt -57.07 -25.44 58.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.51 -1.223 . . . . 0.0 112.324 177.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.3 t -83.02 -53.53 5.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.882 0.372 . . . . 0.0 110.537 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -64.32 -45.03 89.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.265 0.555 . . . . 0.0 111.274 -179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD13 ' HD2' ' A' ' 74' ' ' PHE . 18.5 tp -65.93 -21.64 66.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.698 -177.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -85.4 -42.24 14.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.774 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -64.26 -20.79 66.29 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.948 0.404 . . . . 0.0 110.643 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.437 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 35.5 m -84.47 97.59 9.62 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 172.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -151.66 113.81 4.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.593 0.711 . . . . 0.0 109.428 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.88 -133.33 4.24 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.669 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -87.91 -16.26 34.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.609 0.718 . . . . 0.0 110.102 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -97.44 -11.5 23.8 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 71' ' ' LYS . . . -57.54 -57.09 14.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.564 -169.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -54.18 -45.8 72.21 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -70.97 -45.85 63.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.038 -178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -61.12 -40.16 92.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.106 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.471 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 68.7 mttm -62.69 -32.12 73.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.794 177.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 m -75.94 -46.45 29.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.944 0.402 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.428 ' HA ' HE21 ' A' ' 76' ' ' GLN . 26.2 m -70.43 -30.9 67.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.455 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.467 ' HD2' HD13 ' A' ' 59' ' ' LEU . 18.0 t80 -62.91 -28.23 69.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.969 0.414 . . . . 0.0 110.711 -178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 93.6 mttt -56.75 -42.35 79.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.639 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.428 HE21 ' HA ' ' A' ' 73' ' ' THR . 47.2 mt-30 -72.86 -31.82 65.01 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.067 -176.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 45.0 m -61.08 -39.55 90.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.336 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 27' ' ' LEU . 86.4 t -62.27 -36.75 76.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.88 -174.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.438 ' HG3' HD23 ' A' ' 31' ' ' LEU . 1.6 mp0 -62.95 -35.45 80.17 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.067 0.46 . . . . 0.0 110.667 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.34 -12.52 83.78 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.75 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -92.11 -24.72 19.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -100.87 33.01 2.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.071 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 p -77.62 50.1 0.79 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.535 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.14 -37.71 0.33 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.022 -0.609 . . . . 0.0 111.875 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.81 176.15 38.77 Favored Glycine 0 N--CA 1.429 -1.767 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 48' ' ' ILE . 18.6 tt -77.75 -19.16 13.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.506 0.669 . . . . 0.0 110.228 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -73.4 98.86 2.82 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.663 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 121.99 -4.9 10.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.926 -177.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -66.19 113.02 4.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 110.111 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -164.09 -163.21 16.53 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.09 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.2 p -74.58 2.19 10.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -74.48 -30.64 61.92 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -114.2 -59.63 1.99 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.956 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.04 97.17 11.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.052 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 135.26 50.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.969 175.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.437 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 20.8 p -95.82 122.18 38.34 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.716 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.1 p -78.58 26.17 0.24 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.212 0.53 . . . . 0.0 111.247 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.418 ' H ' ' C ' ' A' ' 96' ' ' THR . 62.2 m -75.56 160.58 29.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.315 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.69 33.01 5.73 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -173.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -74.78 124.2 26.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.919 -0.64 . . . . 0.0 110.647 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -166.68 -84.74 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.05 -0.976 . . . . 0.0 109.533 176.208 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.732 0 N-CA-C 112.586 -0.205 . . . . 0.0 112.586 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.61 -53.65 4.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.642 0.258 . . . . 0.0 111.345 -177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.8 mmt -103.48 124.38 48.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.57 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.57 -148.81 7.26 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.17 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -68.99 167.63 22.87 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 123.142 2.561 . . . . 0.0 111.739 178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.515 ' HA ' ' OE1' ' A' ' 10' ' ' GLU . 60.4 pttt -68.85 133.83 48.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.304 0.573 . . . . 0.0 111.517 -177.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.424 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 19.6 m -92.1 -177.75 4.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.158 -177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' HA ' HD12 ' A' ' 11' ' ' LEU . 41.4 mttp -59.0 -37.65 77.38 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.036 0.446 . . . . 0.0 110.155 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.751 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 11.8 pt-20 -57.1 -44.28 83.08 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.323 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' HG3' ' HG3' ' A' ' 9' ' ' GLU . 47.5 mt-10 -74.34 -31.5 62.45 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 -176.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 8' ' ' LYS . 75.2 mt -64.51 -43.15 94.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.751 172.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.639 HD21 HG21 ' A' ' 48' ' ' ILE . 55.8 tp -66.31 -34.58 78.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.593 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.751 ' HG3' ' O ' ' A' ' 9' ' ' GLU . 43.7 mtp85 -59.76 -30.25 68.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.76 0.314 . . . . 0.0 110.769 177.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 28.9 mt-10 -70.39 -26.8 63.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.08 0.467 . . . . 0.0 110.222 178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -93.38 -1.61 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 88.2 mt -110.2 155.14 22.39 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 111.871 -173.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.561 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 38.6 t -71.99 170.91 12.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.562 172.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -70.7 -36.28 73.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.526 0.679 . . . . 0.0 110.019 -173.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -65.78 -38.46 89.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.309 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.4 mm100 -65.33 -38.82 91.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.718 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 91.4 mttt -61.89 -38.81 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.1 0.476 . . . . 0.0 110.661 178.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.0 m -62.15 -46.95 86.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.932 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -78.64 -13.85 59.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.308 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.74 -47.57 62.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -62.46 -32.14 72.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.512 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -66.03 -47.69 73.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.378 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' O ' HD23 ' A' ' 27' ' ' LEU . 2.9 tt -67.08 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.945 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -54.57 -40.12 68.45 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.419 173.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -80.04 -34.94 37.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -54.26 -49.42 69.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.323 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 89.6 mt -80.62 -36.84 32.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.095 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.19 32.17 81.59 Favored Glycine 0 C--N 1.333 0.364 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.694 176.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -150.91 129.57 12.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.66 -53.2 59.41 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.477 0.486 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.71 -41.3 89.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.385 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -72.19 -34.65 68.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.027 0.413 . . . . 0.0 110.944 -176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.522 ' HA ' HD12 ' A' ' 31' ' ' LEU . 73.1 t80 -73.49 -33.96 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.946 -0.391 . . . . 0.0 109.946 177.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.631 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.0 t70 -59.05 -38.68 79.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.341 176.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -57.39 -39.26 75.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.506 178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.461 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 63.9 t80 -66.51 -36.45 82.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.206 0.527 . . . . 0.0 110.482 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 38' ' ' ASP . 21.2 mt -66.72 -17.3 64.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.12 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.48 14.5 62.04 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.935 -0.65 . . . . 0.0 113.335 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' HD2' ' HA ' ' A' ' 40' ' ' PHE . 25.7 m-85 -89.53 -177.43 5.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.19 0.519 . . . . 0.0 111.486 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' HB3' ' HG3' ' A' ' 47' ' ' LYS . 27.0 t0 -66.21 132.95 49.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.246 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -53.92 -37.09 63.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.867 0.365 . . . . 0.0 110.731 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 m -63.7 -36.1 82.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.155 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 58.3 mttm -83.44 -38.21 22.18 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.059 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.639 HG21 HD21 ' A' ' 12' ' ' LEU . 83.0 mt -60.4 -49.24 85.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.17 177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -67.4 -37.31 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.162 -176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.8 m -66.27 -43.58 86.0 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.528 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -56.46 -53.49 56.8 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.749 0.309 . . . . 0.0 110.699 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.79 -39.36 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.554 -179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -71.18 -37.79 72.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.816 0.341 . . . . 0.0 110.781 -177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -62.34 -44.82 95.6 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 175.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.486 HG23 ' CE1' ' A' ' 74' ' ' PHE . 78.9 mt -55.67 -48.28 77.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.398 174.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 ttpm? -58.54 -31.94 68.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.233 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.9 m -74.15 -54.38 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.504 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 26.3 mm-40 -63.7 -47.5 80.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.528 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.84 -28.64 70.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.893 0.378 . . . . 0.0 111.114 -175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -64.45 -34.27 77.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.001 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 41.6 mtmt -66.57 -19.61 65.82 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.091 0.472 . . . . 0.0 110.583 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 29.3 m -86.03 69.96 10.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.136 0.494 . . . . 0.0 110.371 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -125.98 17.02 7.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.641 178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.18 -164.56 37.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.435 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -62.18 -37.13 84.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.663 0.268 . . . . 0.0 111.538 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.42 42.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.691 0.758 . . . . 0.0 109.678 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -65.57 -53.8 36.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.677 -174.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.549 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -68.53 -33.68 74.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -171.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -66.48 -42.56 87.27 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.48 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.431 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 13.4 mm100 -63.52 -41.88 98.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.916 175.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 87.1 mttt -55.31 -47.59 75.37 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.368 0.604 . . . . 0.0 110.147 175.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.483 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 29.7 m -67.0 -35.15 79.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.249 -177.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.0 m -76.68 -30.1 56.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.081 0.467 . . . . 0.0 110.9 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.486 ' CE1' HG23 ' A' ' 55' ' ' ILE . 6.2 t80 -65.05 -30.73 71.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.575 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 88.5 mttt -55.74 -50.18 71.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.476 172.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -65.54 -33.48 76.02 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.034 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.8 m -59.7 -48.43 81.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.01 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.59 -35.07 71.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.582 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.544 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 1.4 tm0? -52.59 -47.3 67.01 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-O 121.214 0.53 . . . . 0.0 110.468 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -92.23 21.35 38.08 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.303 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.69 -51.1 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.667 0.27 . . . . 0.0 110.964 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 96.0 mt -78.01 0.48 24.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.482 0.658 . . . . 0.0 111.514 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 p -86.74 -12.52 47.96 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.41 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.0 4.14 35.81 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.129 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.45 -134.63 6.95 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.3 tt -170.86 -29.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.716 0.294 . . . . 0.0 110.876 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -68.91 -34.08 74.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.206 0.527 . . . . 0.0 109.985 177.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -90.41 16.6 57.28 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.044 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -81.63 122.99 28.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.37 -145.14 10.03 Favored Glycine 0 N--CA 1.443 -0.86 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.476 ' HA ' HG13 ' A' ' 95' ' ' VAL . 3.1 p -68.08 -4.09 12.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.982 0.42 . . . . 0.0 111.357 -179.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -80.17 -27.63 38.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.745 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -143.85 -27.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -173.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.91 101.2 7.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 0.0 111.102 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 91' ' ' SER . 3.1 m -136.55 144.09 33.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.291 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.547 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 34.9 p -96.1 115.77 27.95 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.241 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.0 p -73.09 56.97 0.46 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.476 0.655 . . . . 0.0 110.118 172.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.547 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 78.2 m -112.79 107.85 16.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.852 -175.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -164.45 -177.97 37.52 Favored Glycine 0 N--CA 1.442 -0.941 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -115.65 101.27 8.69 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 102.46 -17.34 53.68 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 -175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.176 -0.916 . . . . 0.0 109.294 178.037 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 112.307 -0.317 . . . . 0.0 112.307 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.51 158.34 36.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.901 0.381 . . . . 0.0 111.461 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.7 ttt -143.59 136.48 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.66 178.28 18.46 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.263 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.49 170.1 13.35 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 123.108 2.538 . . . . 0.0 112.1 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.545 ' HB2' ' CB ' ' A' ' 10' ' ' GLU . 54.4 pttt -61.97 135.94 57.76 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.723 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.472 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 39.0 m -103.03 -165.13 1.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.008 -173.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' HB2' HD13 ' A' ' 41' ' ' LEU . 55.0 mttp -51.94 -46.6 64.76 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 123.533 0.521 . . . . 0.0 111.59 -173.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.515 ' HB2' HD11 ' A' ' 24' ' ' LEU . 2.1 pm0 -61.45 -39.78 92.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.722 -178.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 20.5 mm-40 -72.82 -42.14 64.14 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 70.2 mt -66.11 -34.69 78.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.675 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.613 HD21 HG21 ' A' ' 48' ' ' ILE . 59.4 tp -80.22 -39.86 28.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.198 -178.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 16' ' ' LEU . 12.5 ptm180 -65.84 -19.11 65.76 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.636 0.255 . . . . 0.0 110.394 -177.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 51.4 mt-10 -60.34 -43.55 96.36 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 121.767 0.794 . . . . 0.0 109.862 170.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -96.77 15.19 22.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.686 -1.143 . . . . 0.0 111.37 -171.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 95.3 mt -110.28 163.73 13.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.133 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.641 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 3.2 p -81.34 169.75 16.87 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 174.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.8 -33.54 74.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.628 0.727 . . . . 0.0 109.556 -173.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.55 -44.23 96.36 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.604 -1.18 . . . . 0.0 110.671 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.59 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 11.9 mm-40 -66.28 -43.39 86.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.027 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 17' ' ' SER . 85.6 mttt -57.92 -35.23 70.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.099 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -47.21 79.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.24 -176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.405 ' CD2' HD12 ' A' ' 59' ' ' LEU . 73.6 m80 -85.55 -13.48 48.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.03 0.443 . . . . 0.0 111.054 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.1 tm? -62.04 -53.83 50.09 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 171.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -60.71 -35.66 76.87 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.651 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -59.35 -45.05 92.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.476 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.679 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 20.8 mt -64.74 -25.75 68.06 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 37' ' ' PHE . 17.7 ttmm -61.75 -34.73 76.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -81.4 -42.66 20.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.838 171.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -56.04 -55.5 32.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.924 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 36' ' ' GLU . 4.4 mm? -59.36 -31.31 69.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.563 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.48 -58.64 4.98 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.425 HD22 ' HG2' ' A' ' 36' ' ' GLU . 35.8 t30 -82.63 120.09 25.11 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 171.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.54 -28.25 69.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.936 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 -37.2 94.44 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.381 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 31' ' ' LEU . 11.6 mm-40 -72.85 -24.72 60.92 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.044 0.45 . . . . 0.0 110.935 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 73.8 t80 -75.79 -34.32 60.19 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.479 -0.564 . . . . 0.0 109.479 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 41' ' ' LEU . 37.1 t70 -59.96 -43.72 94.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.51 0.671 . . . . 0.0 109.736 172.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 52.5 tptt -51.53 -44.51 62.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.829 173.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CZ ' HG23 ' A' ' 48' ' ' ILE . 73.0 t80 -62.3 -38.91 91.24 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.918 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' A' ' 8' ' ' LYS . 51.0 mt -72.16 -11.63 60.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.133 -178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.74 35.61 4.63 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.115 178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' HD2' ' HA ' ' A' ' 40' ' ' PHE . 26.0 m-85 -115.63 178.97 4.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.497 ' CB ' ' HE2' ' A' ' 47' ' ' LYS . 13.9 t70 -67.41 139.78 57.14 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 177.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -50.31 -42.35 52.54 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.624 0.578 . . . . 0.0 111.336 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 t -72.63 -33.62 66.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.385 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE2' ' CB ' ' A' ' 44' ' ' ASP . 41.1 mtmt -75.65 -34.94 60.55 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.613 HG21 HD21 ' A' ' 12' ' ' LEU . 73.2 mt -62.21 -50.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.958 175.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.438 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.2 mttt -65.29 -37.13 86.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.47 -178.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.0 m -65.49 -40.41 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 110.467 177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.27 -53.36 54.15 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.763 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.5 mt -58.07 -46.11 85.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.8 -38.44 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.656 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -68.68 -44.34 74.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.598 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 51' ' ' ALA . 81.5 mt -53.56 -45.77 59.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 174.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -60.33 -41.37 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.924 175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.1 t -57.7 -48.75 78.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.006 0.431 . . . . 0.0 110.808 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' HB3' HG23 ' A' ' 96' ' ' THR . 13.0 mm-40 -70.26 -41.88 72.88 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.18 -178.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.531 HD22 ' HG2' ' A' ' 71' ' ' LYS . 42.4 mt -71.78 -20.59 61.84 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -73.55 -18.74 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.298 0.571 . . . . 0.0 110.359 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -74.72 -28.4 60.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.482 0.658 . . . . 0.0 109.57 173.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.21 84.09 5.18 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.778 -172.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -131.28 15.89 5.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.064 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -151.08 26.35 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.785 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -81.17 -7.22 59.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.221 0.534 . . . . 0.0 110.766 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -92.57 -0.27 57.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.749 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.14 2.07 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -166.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.94 -41.17 86.77 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.174 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -69.44 -47.14 64.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.475 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -62.48 -37.18 84.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.531 ' HG2' HD22 ' A' ' 59' ' ' LEU . 96.9 mttt -57.63 -49.63 75.8 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 110.312 174.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.3 m -64.62 -39.21 93.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.369 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.4 m -76.02 -30.67 58.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.866 0.365 . . . . 0.0 110.755 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 78' ' ' VAL . 8.6 t80 -64.59 -33.56 76.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.854 178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 91.7 mttt -52.55 -43.08 64.97 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.836 175.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -70.64 -36.85 73.64 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.726 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 57.8 m -65.69 -42.89 90.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.676 177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.551 HG11 HD21 ' A' ' 27' ' ' LEU . 62.5 t -68.29 -31.66 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.097 -179.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 73.9 mt-30 -55.74 -47.35 77.08 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 110.597 175.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.85 7.66 53.96 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.312 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.09 -50.79 2.93 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 120.6 0.238 . . . . 0.0 111.015 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD12 HD21 ' A' ' 31' ' ' LEU . 91.9 mt -74.19 -33.6 63.48 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-O 121.293 0.568 . . . . 0.0 112.029 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.3 t -75.59 -27.42 58.52 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.902 -176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.65 -48.59 5.8 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.648 176.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 172.13 116.94 0.42 Allowed Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.284 178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.0 tt -72.96 -12.76 15.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.576 0.703 . . . . 0.0 110.07 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.53 -17.32 64.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.186 -176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -125.29 30.12 4.61 Favored Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.424 175.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -84.1 121.79 27.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.22 -156.34 15.02 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.002 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.1 t -77.92 0.4 24.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.257 0.551 . . . . 0.0 110.451 -175.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -84.88 -38.28 19.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.895 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -118.34 -12.08 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -173.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -137.19 105.69 5.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.814 0.34 . . . . 0.0 111.286 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.41 149.19 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.774 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.655 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 16.8 p -92.93 118.62 31.35 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.093 0.473 . . . . 0.0 110.64 173.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 p -71.6 47.24 0.13 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.328 0.585 . . . . 0.0 111.065 171.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.655 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 84.4 m -93.99 32.82 1.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.766 -176.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -93.93 24.5 26.22 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -98.62 151.94 20.15 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.289 -0.456 . . . . 0.0 110.188 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.14 -44.58 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 174.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.247 0.946 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.024 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 6' ' ' LYS . . . -160.54 127.73 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.778 0.323 . . . . 0.0 111.296 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -113.48 -30.37 6.88 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.273 0.559 . . . . 0.0 109.548 174.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -112.2 3.67 Favored Glycine 0 N--CA 1.444 -0.821 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 171.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.1 159.33 37.45 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 122.471 2.114 . . . . 0.0 110.03 167.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.569 ' HE2' HD23 ' A' ' 11' ' ' LEU . 19.9 ptmt -65.99 142.13 57.95 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.081 0.467 . . . . 0.0 110.411 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 t -71.27 168.26 17.7 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.096 -172.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HA ' HD12 ' A' ' 11' ' ' LEU . 98.0 mttt -63.95 -36.08 82.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.924 178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.14 -32.11 72.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.724 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -68.85 -28.6 66.87 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.88 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD23 ' HE2' ' A' ' 6' ' ' LYS . 28.6 mt -78.92 -49.67 12.45 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 175.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 49.8 tp -65.06 -39.68 93.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.857 -175.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptm180 -59.92 -27.68 66.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.667 0.27 . . . . 0.0 111.187 -176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.65 -32.51 72.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.987 0.422 . . . . 0.0 110.263 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -95.34 2.11 54.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.444 -176.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 84.9 mt -97.66 177.46 5.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.045 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 73.3 p -82.98 -176.51 6.37 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 172.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.9 -41.21 68.2 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.186 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -44.3 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.599 0.238 . . . . 0.0 111.418 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.521 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 98.2 mt-30 -57.25 -30.78 64.93 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.5 mttt -64.12 -41.06 97.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 110.633 178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.9 m -70.33 -39.11 74.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.449 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 45.9 m80 -70.82 -23.78 62.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.056 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 9.7 mt -62.79 -51.34 67.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.205 0.526 . . . . 0.0 110.127 170.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.86 -32.93 73.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.521 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -63.22 -46.46 86.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.862 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 33.4 tp -61.86 -32.28 72.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.709 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -56.41 -43.6 79.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.997 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -77.39 -37.56 51.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.127 178.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.412 ' HB3' ' HA ' ' A' ' 27' ' ' LEU . . . -61.19 -45.42 94.65 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.096 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.511 HD23 ' HG2' ' A' ' 79' ' ' GLN . 95.2 mt -77.37 -41.7 39.27 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.399 178.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.24 13.36 67.3 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.687 176.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' HB3' ' HB2' ' A' ' 36' ' ' GLU . 54.6 t-20 -139.17 129.84 26.0 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.63 -45.24 89.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.597 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.25 -39.86 92.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.802 -177.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.695 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 14.4 mm-40 -68.33 -37.41 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.945 0.402 . . . . 0.0 110.824 -179.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.657 ' O ' HD23 ' A' ' 41' ' ' LEU . 5.5 t80 -74.52 -40.74 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 177.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -53.06 -45.54 68.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.172 176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.695 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 51.2 pttt -62.44 -26.99 68.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.787 -176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' CE1' HG23 ' A' ' 48' ' ' ILE . 90.5 t80 -69.45 -41.58 76.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.291 0.567 . . . . 0.0 110.206 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 37' ' ' PHE . 2.1 mm? -66.14 -23.39 66.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.324 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.65 42.33 3.12 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.504 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -127.28 179.37 5.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.974 0.416 . . . . 0.0 111.188 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.5 ' O ' HG13 ' A' ' 48' ' ' ILE . 26.0 t70 -62.12 128.79 37.78 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.957 174.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -56.46 -36.07 68.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.692 0.282 . . . . 0.0 111.452 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.482 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 40.7 m -73.02 -29.9 63.36 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.246 -178.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -75.55 -39.92 57.53 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.616 HG21 HD21 ' A' ' 12' ' ' LEU . 72.4 mt -60.62 -52.34 62.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.218 177.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' HE2' HD23 ' A' ' 16' ' ' LEU . 99.5 mttt -61.1 -34.61 75.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.353 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 87.6 m -67.97 -45.44 74.19 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.415 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.2 -49.2 77.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 178.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.1 mt -62.63 -40.48 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.408 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -69.36 -35.5 75.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -65.11 -44.87 87.36 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 51' ' ' ALA . 80.6 mt -52.49 -46.92 48.38 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 65.7 tttp -58.82 -49.66 76.86 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.645 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.6 m -51.49 -36.89 46.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' HG3' ' HA ' ' A' ' 95' ' ' VAL . 66.3 mm-40 -87.99 -49.59 6.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.819 0.342 . . . . 0.0 111.607 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -67.41 -27.4 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.781 0.324 . . . . 0.0 111.663 -173.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' HB2' ' O ' ' A' ' 56' ' ' LYS . 4.0 t70 -70.31 -13.62 62.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.713 -177.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.46 -36.94 63.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.366 0.603 . . . . 0.0 110.262 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.649 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 2.8 m -96.57 99.54 11.17 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.646 -172.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -125.19 0.65 7.82 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.696 0.284 . . . . 0.0 111.064 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.61 -175.68 48.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.625 -0.798 . . . . 0.0 113.112 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -69.1 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 122.729 0.412 . . . . 0.0 111.358 -177.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -71.48 -12.23 61.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.791 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.663 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -64.71 -23.27 67.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.034 174.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -58.18 -42.11 85.36 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.388 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.47 -32.72 72.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.086 0.47 . . . . 0.0 110.377 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -70.41 -31.29 68.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.994 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.663 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 78.5 mttt -64.58 -41.04 96.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 173.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.502 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 22.0 m -64.51 -31.77 73.12 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.562 175.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.504 ' HA ' HE21 ' A' ' 76' ' ' GLN . 27.7 m -73.49 -37.1 65.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.189 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.1 t80 -63.24 -29.95 71.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.408 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 88.7 mttt -54.09 -47.14 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.479 173.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.504 HE21 ' HA ' ' A' ' 73' ' ' THR . 44.4 mt-30 -70.33 -34.99 73.32 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.197 -178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 94' ' ' ALA . 26.8 m -60.5 -45.48 93.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.682 176.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 74' ' ' PHE . 69.1 t -67.69 -39.24 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.479 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.511 ' HG2' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -57.21 -45.04 84.19 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.252 177.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.55 -27.23 67.94 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.643 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.95 31.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.834 0.35 . . . . 0.0 111.08 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.8 mt -77.3 5.42 8.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.181 0.515 . . . . 0.0 111.475 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -84.29 -21.56 31.0 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.7 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.36 16.73 21.91 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.872 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.46 155.88 12.64 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.575 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -91.21 -17.61 7.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.331 0.586 . . . . 0.0 110.344 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.64 -41.28 75.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.445 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.97 3.72 85.77 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.108 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -71.17 122.86 20.93 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 171.26 -151.32 15.28 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.756 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.1 -0.74 10.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.406 . . . . 0.0 111.78 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -72.81 -22.0 60.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.723 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -146.17 -48.45 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.801 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -83.2 98.5 9.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.87 0.367 . . . . 0.0 111.524 -176.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 58' ' ' GLU . 2.5 m -142.96 149.97 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.469 175.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 58' ' ' GLU . 15.9 p -98.01 114.73 26.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.703 0.764 . . . . 0.0 111.315 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 p -78.72 24.85 0.28 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.939 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.33 113.03 7.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.69 -117.05 0.71 Allowed Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.342 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -140.69 163.36 33.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.937 0.398 . . . . 0.0 110.979 -175.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -116.87 -39.46 0.82 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.279 -1.128 . . . . 0.0 110.279 171.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.313 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.126 -0.39 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.33 163.72 12.23 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.904 0.383 . . . . 0.0 110.979 -178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 tpt -75.35 98.65 3.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.292 176.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.31 166.85 32.3 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.085 -0.578 . . . . 0.0 112.109 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -86.52 -169.38 0.53 Allowed 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.945 2.43 . . . . 0.0 112.472 178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.484 ' HE2' HD23 ' A' ' 11' ' ' LEU . 48.1 mtpt -84.53 136.95 33.6 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.229 0.538 . . . . 0.0 110.844 176.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.5 m -81.59 168.73 17.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.021 -177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -53.82 -42.53 68.53 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.606 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -57.59 -39.44 76.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 6.8 mm-40 -69.78 -44.82 69.34 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD23 ' HE2' ' A' ' 6' ' ' LYS . 61.7 mt -69.25 -37.32 77.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.327 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.8 tp -67.48 -39.85 85.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.371 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 46.4 mtt85 -54.98 -34.14 63.11 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.897 0.379 . . . . 0.0 111.14 176.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 31.8 mt-10 -69.82 -25.44 63.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.951 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -102.01 -3.7 27.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.517 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 56.5 mt -100.03 166.35 11.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.503 0.668 . . . . 0.0 111.382 -178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.626 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 29.6 t -79.57 174.5 11.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.854 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.07 -36.46 61.78 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.247 0.546 . . . . 0.0 110.327 -172.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -67.09 -39.33 86.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.361 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -65.25 -33.2 75.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.81 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.626 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.6 mttt -63.76 -40.15 96.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.027 0.441 . . . . 0.0 110.386 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.4 m -61.78 -36.34 80.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.755 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.404 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 51.2 m80 -76.69 -16.78 59.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 21' ' ' LYS . 15.9 mt -68.35 -48.45 64.77 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 172.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -62.31 -40.0 94.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.48 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 87.2 t90 -64.4 -47.5 78.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.566 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 HD13 HG11 ' A' ' 78' ' ' VAL . 49.0 tp -67.22 -32.43 73.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.766 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.59 -43.09 89.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.004 175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -71.59 -39.59 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.568 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -59.51 -50.14 75.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.927 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.15 -37.34 64.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.18 -45.24 3.17 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.748 176.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -95.54 124.29 39.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 110.712 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.47 -35.91 78.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.696 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.14 -35.18 91.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.557 178.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -77.83 -27.32 49.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.054 0.454 . . . . 0.0 110.465 178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 47.9 t80 -73.42 -33.46 64.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 174.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.6 t70 -55.97 -43.87 77.97 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.67 172.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.2 -51.9 30.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.505 176.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.6 t80 -63.97 -40.4 96.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.788 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 87.3 mt -66.87 -17.42 64.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.687 -179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 23.29 36.06 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.772 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -104.98 175.23 5.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.437 . . . . 0.0 111.616 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -64.37 138.75 58.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.128 177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -54.97 -37.04 66.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.35 . . . . 0.0 110.834 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 m -62.75 -36.46 83.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.318 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -84.9 -37.96 19.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.243 -177.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.61 HG21 HD21 ' A' ' 12' ' ' LEU . 71.5 mt -60.05 -53.14 52.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.01 176.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.566 ' HE2' HD23 ' A' ' 16' ' ' LEU . 98.9 mttt -62.91 -31.25 72.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.671 -178.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.2 m -70.04 -45.37 67.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.52 85.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.9 -42.67 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.1 -38.84 92.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -65.54 -46.08 80.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.541 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 74' ' ' PHE . 86.5 mt -54.32 -46.44 69.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.228 0.537 . . . . 0.0 109.849 175.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 77.3 tttt -58.07 -33.97 69.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.173 178.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 27.8 m -74.75 -50.36 17.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.511 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.57 ' HB3' HG23 ' A' ' 96' ' ' THR . 27.4 mm-40 -66.12 -48.36 71.09 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.194 -0.203 . . . . 0.0 111.322 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD11 ' HG2' ' A' ' 71' ' ' LYS . 25.6 tp -58.8 -26.01 63.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.35 -175.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.9 -29.29 66.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.675 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.2 mttp -71.22 -26.91 63.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.81 0.338 . . . . 0.0 111.833 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.0 m -97.37 72.01 2.37 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.185 0.516 . . . . 0.0 110.893 -172.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.64 13.7 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.878 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.01 -144.77 14.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.81 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -69.05 -29.0 67.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.101 0.477 . . . . 0.0 110.986 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD2' ' HA ' ' A' ' 100' ' ' ASN . 1.9 p30 -100.93 15.82 27.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.096 -177.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 71' ' ' LYS . . . -55.4 -67.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -166.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.569 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 0.7 OUTLIER -62.94 -31.14 72.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.578 -173.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 13.8 tp60 -71.2 -40.75 70.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.675 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.6 mm100 -70.59 -34.51 72.25 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.72 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 90.4 mttt -55.35 -47.44 75.72 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 109.6 173.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.433 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 29.7 m -62.99 -35.11 79.1 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.874 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.487 ' HA ' HE21 ' A' ' 76' ' ' GLN . 31.6 m -75.19 -35.21 61.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.138 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CE1' HG23 ' A' ' 55' ' ' ILE . 7.5 t80 -64.93 -29.37 70.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.062 -178.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 97.7 mttt -57.77 -35.66 71.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.186 177.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.487 HE21 ' HA ' ' A' ' 73' ' ' THR . 48.2 mt-30 -75.08 -36.02 61.79 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 94' ' ' ALA . 31.9 m -63.4 -46.22 87.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.725 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.1 t -59.62 -35.59 60.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.165 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -56.22 -43.78 78.89 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 111.051 176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -75.37 -18.37 79.95 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.157 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' HA ' ' ND2' ' A' ' 93' ' ' ASN . . . -73.87 -54.85 7.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.584 0.231 . . . . 0.0 111.362 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.7 mm? -75.77 -0.95 22.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.302 0.572 . . . . 0.0 111.585 -178.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.6 t -77.41 -24.42 50.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.398 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.61 25.67 20.48 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.119 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.2 134.87 5.79 Favored Glycine 0 N--CA 1.441 -0.982 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.719 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.4 tt -65.51 -19.89 26.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 121.288 0.566 . . . . 0.0 110.752 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.92 -16.53 58.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.082 -178.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.72 20.54 36.41 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.443 ' CE1' HD21 ' A' ' 82' ' ' LEU . 19.7 t80 -85.85 119.31 26.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.32 -163.4 28.23 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.271 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 m -73.63 5.95 3.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.044 0.45 . . . . 0.0 111.454 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -93.31 -19.73 21.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.048 0.451 . . . . 0.0 110.634 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.513 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 28.1 p-10 -137.83 -37.66 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.693 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -104.48 96.31 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.566 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.16 147.57 27.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.928 0.394 . . . . 0.0 111.331 178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.57 HG23 ' HB3' ' A' ' 58' ' ' GLU . 8.3 p -89.26 108.72 19.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.114 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 20.5 p -81.53 29.28 0.37 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.824 176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.675 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 58.6 m -71.88 99.04 2.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.024 -176.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -108.05 100.33 1.46 Allowed Glycine 0 N--CA 1.443 -0.89 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.416 ' HA ' ' OD2' ' A' ' 66' ' ' ASP . 23.4 p30 -71.21 -15.45 62.46 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -173.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -170.55 38.21 0.18 Allowed Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 177.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.594 -0.717 . . . . 0.0 110.801 -175.264 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.57 117.41 23.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.894 0.378 . . . . 0.0 110.522 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.0 ptp -93.42 24.99 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.12 -172.28 39.22 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.954 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -78.59 -168.83 0.67 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.819 2.346 . . . . 0.0 112.224 178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -56.45 110.48 0.78 Allowed 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.429 0.633 . . . . 0.0 110.074 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -79.0 168.64 19.4 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.248 -177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.25 -44.29 75.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.43 -35.8 80.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.673 178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 4.8 mm-40 -71.61 -17.02 62.3 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.551 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -99.32 -43.48 6.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.139 0.495 . . . . 0.0 109.993 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.73 HD21 HG21 ' A' ' 48' ' ' ILE . 59.9 tp -64.3 -40.65 96.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.953 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.536 ' HD2' ' HA ' ' A' ' 10' ' ' GLU . 8.0 ptm180 -60.82 -29.66 69.61 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.37 -177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -69.99 -32.77 71.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.972 0.415 . . . . 0.0 110.872 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -85.54 -1.88 57.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.585 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.6 mt -95.71 176.72 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.194 0.521 . . . . 0.0 111.537 -176.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.9 m -88.13 169.44 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.665 173.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.53 -35.29 75.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.983 0.421 . . . . 0.0 110.416 -177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -66.43 -56.68 9.82 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.022 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.559 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 82.5 mt-30 -58.77 -36.95 75.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.105 -173.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.656 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.4 mttt -59.98 -37.84 80.82 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.037 0.446 . . . . 0.0 110.928 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.8 m -70.61 -36.06 73.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.491 -178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 49.1 m80 -77.06 -21.13 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.318 -178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.545 HD22 ' CZ ' ' A' ' 37' ' ' PHE . 4.4 mt -62.93 -47.08 84.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.533 ' O ' ' HG2' ' A' ' 29' ' ' GLU . 33.1 t70 -63.36 -41.5 98.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.14 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.09 -49.42 77.96 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.421 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD13 HG11 ' A' ' 78' ' ' VAL . 46.9 tp -62.79 -38.3 90.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.134 -179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -57.45 -52.83 63.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 25' ' ' ASP . 25.3 mm-40 -62.9 -39.49 94.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.872 177.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.6 87.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD23 ' HG2' ' A' ' 79' ' ' GLN . 94.1 mt -75.95 -43.51 44.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.206 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.45 -61.43 4.76 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.319 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -68.45 132.08 46.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.969 0.414 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.082 -178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.51 -27.99 73.13 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.784 -0.643 . . . . 0.0 113.354 -176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -81.58 -34.71 30.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.393 -0.475 . . . . 0.0 111.057 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.642 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 32.6 t80 -72.79 -38.69 67.16 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.55 ' HA ' HD12 ' A' ' 41' ' ' LEU . 14.8 t70 -58.41 -38.89 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.995 174.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -51.22 -53.54 34.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.356 176.371 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.607 ' CE2' HG23 ' A' ' 48' ' ' ILE . 84.4 t80 -63.17 -38.14 89.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.932 179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 73.6 mt -65.83 -15.43 62.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.761 -178.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.63 13.7 63.81 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.676 -177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 25.6 m-85 -93.05 -178.22 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.09 0.471 . . . . 0.0 111.697 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' ' 48' ' ' ILE . 14.9 t70 -72.26 136.62 46.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.116 178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -54.56 -37.59 65.65 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 123.071 0.232 . . . . 0.0 111.322 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.2 m -68.07 -32.4 72.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.995 0.426 . . . . 0.0 110.238 -177.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -83.47 -37.96 22.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.126 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.73 HG21 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -60.5 -50.92 78.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.224 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HE2' HD23 ' A' ' 16' ' ' LEU . 97.6 mttt -66.06 -33.91 76.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.247 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -67.71 -42.41 82.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.89 0.376 . . . . 0.0 110.511 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.56 -48.11 82.49 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.13 -41.04 97.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.639 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -65.44 -40.61 93.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.969 0.414 . . . . 0.0 110.684 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -62.11 -44.03 97.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.223 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.5 mt -50.67 -48.56 27.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.798 175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 56.8 tttm -61.07 -43.81 98.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.843 177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 17.6 m -57.31 -43.95 83.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 -178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.534 ' HA ' ' HE2' ' A' ' 61' ' ' LYS . 31.7 mm-40 -69.63 -45.98 67.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.05 177.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.22 -34.74 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -25.86 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.429 -177.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HE2' ' HA ' ' A' ' 58' ' ' GLU . 53.0 mttm -68.37 -28.66 67.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.269 0.557 . . . . 0.0 110.575 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 3.8 m -89.34 87.58 7.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.913 -173.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -140.26 103.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.843 0.83 . . . . 0.0 109.144 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . 167.02 -160.38 34.05 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.715 -175.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -69.8 -27.63 65.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.292 0.546 . . . . 0.0 111.684 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.1 m-20 -93.36 0.65 56.98 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -55.54 -43.56 75.92 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.13 -48.09 71.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.505 0.669 . . . . 0.0 110.953 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.406 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 12.3 tp60 -72.27 -45.05 61.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.456 -174.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.617 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 14.1 mm100 -60.54 -45.63 93.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.311 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.57 -39.92 95.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.102 0.477 . . . . 0.0 110.19 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.8 m -64.27 -47.08 80.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.091 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 60.2 m -70.18 -24.47 63.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.936 0.398 . . . . 0.0 111.117 -178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.505 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 t80 -66.69 -30.78 71.1 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 93.4 mttt -56.02 -39.51 72.05 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 121.095 0.474 . . . . 0.0 109.935 174.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 18.3 mt-30 -71.31 -39.77 71.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.462 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 44.4 m -60.45 -48.18 82.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.774 177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 74' ' ' PHE . 54.2 t -63.65 -34.06 65.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.934 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.539 ' HG2' HD23 ' A' ' 31' ' ' LEU . 63.9 mt-30 -55.52 -38.65 69.51 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 176.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.75 6.62 83.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.95 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.551 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -97.23 -55.78 2.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.821 0.343 . . . . 0.0 110.953 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.605 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.4 mm? -88.89 24.57 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.629 -176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m -64.79 -35.59 81.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.167 0.508 . . . . 0.0 110.047 177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.25 72.17 0.1 Allowed Glycine 0 N--CA 1.445 -0.757 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.982 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.87 108.4 0.98 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.113 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.0 tt -91.3 -22.63 6.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.033 0.444 . . . . 0.0 110.739 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -78.72 103.16 8.47 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.16 -10.79 6.19 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.317 -1.113 . . . . 0.0 110.317 -171.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' A' ' 82' ' ' LEU . 13.5 t80 -66.14 115.43 6.15 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.79 -152.19 10.57 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.9 p -75.04 13.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.009 0.433 . . . . 0.0 111.539 -176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -99.75 -40.23 7.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.458 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -119.8 -13.75 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -173.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -135.68 98.02 3.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.727 0.298 . . . . 0.0 110.75 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.435 ' HA ' ' OE1' ' A' ' 58' ' ' GLU . 4.0 m -136.93 144.29 32.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-O 120.732 0.301 . . . . 0.0 111.145 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 21.0 p -97.79 115.84 28.83 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.125 0.488 . . . . 0.0 110.693 171.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 p -75.31 51.92 0.58 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.447 0.641 . . . . 0.0 110.228 173.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.708 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 74.6 m -100.03 -179.37 4.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.885 -172.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.45 -170.31 41.57 Favored Glycine 0 N--CA 1.44 -1.043 0 N-CA-C 109.931 -1.268 . . . . 0.0 109.931 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.23 149.92 23.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.021 0.41 . . . . 0.0 110.054 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.69 62.28 4.16 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.014 -179.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.971 -178.633 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.07 122.32 46.64 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -142.25 143.22 32.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.295 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.66 -169.45 19.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.086 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -67.41 140.69 53.48 Favored 'Trans proline' 0 CA--C 1.516 -0.404 0 C-N-CA 123.272 2.648 . . . . 0.0 111.416 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.64 ' HA ' ' OE2' ' A' ' 10' ' ' GLU . 60.4 pttt -61.34 119.37 8.36 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.86 0.838 . . . . 0.0 111.585 -173.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 20.4 m -95.4 -177.91 4.25 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.635 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -59.62 -25.21 64.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.849 -0.159 . . . . 0.0 111.148 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.02 -38.58 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.298 177.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.64 ' OE2' ' HA ' ' A' ' 6' ' ' LYS . 22.0 mt-10 -72.57 -28.11 62.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.007 0.432 . . . . 0.0 110.415 178.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 7' ' ' SER . 75.2 mt -73.84 -33.48 64.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.0 173.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.61 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 30.0 tp -71.13 -32.02 68.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.751 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.608 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 49.3 mtt180 -56.65 -34.14 67.02 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.77 -24.7 67.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.861 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -99.94 -8.82 23.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.996 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 74.5 mt -102.5 175.02 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 112.019 -172.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.465 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.0 p -96.12 -176.78 3.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.288 171.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -73.6 -36.21 65.48 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.299 0.571 . . . . 0.0 110.732 -169.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -65.9 -43.82 87.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.334 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 94.3 mt-30 -66.45 -36.15 82.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.608 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 87.5 mttt -62.25 -31.11 71.63 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.084 0.469 . . . . 0.0 110.462 176.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.1 m -70.52 -37.49 74.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.106 177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.676 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 38.5 m80 -70.49 -29.71 66.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.109 -179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD11 HD23 ' A' ' 12' ' ' LEU . 15.4 mt -61.3 -49.3 77.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 173.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -58.74 -47.18 85.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.62 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -59.73 -50.95 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.694 178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.89 -35.55 81.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 -177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -55.45 -49.62 71.99 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.385 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -77.99 -30.09 49.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.752 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.54 -51.86 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.519 177.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.57 -38.01 77.2 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.125 177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.2 -1.08 61.34 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.586 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -132.07 115.52 15.89 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.502 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 1.5 m-20 -63.76 -21.28 66.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.047 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -71.55 -47.71 33.15 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.751 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.66 -37.77 70.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.849 0.357 . . . . 0.0 110.324 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' HZ ' HD22 ' A' ' 24' ' ' LEU . 58.3 t80 -65.72 -35.46 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.119 178.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 20.4 t70 -58.45 -39.07 78.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.141 0.496 . . . . 0.0 110.902 179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.85 -32.27 65.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.999 -1.0 . . . . 0.0 111.256 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE2' HG23 ' A' ' 48' ' ' ILE . 72.0 t80 -60.03 -39.55 86.27 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.13 -179.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 41' ' ' LEU . 2.6 mm? -70.41 -27.16 64.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.318 -177.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.22 3.24 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.15 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -132.17 -177.3 4.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 39.2 t0 -68.59 129.33 39.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.61 174.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -52.79 -35.64 57.03 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.215 0.322 . . . . 0.0 110.789 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -64.96 -39.48 93.55 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.044 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 38.0 mttp -76.45 -38.36 55.54 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.305 -179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.616 HG23 ' CE2' ' A' ' 40' ' ' PHE . 73.4 mt -59.63 -55.16 25.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.005 177.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HE2' HD23 ' A' ' 16' ' ' LEU . 96.5 mttt -65.54 -31.74 72.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.62 -177.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -72.54 -39.46 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 176.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.21 -47.9 84.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.692 177.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.67 -42.94 97.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.074 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 9.1 t70 -69.75 -27.71 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -177.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -67.38 -47.65 69.72 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.464 HG22 HD22 ' A' ' 59' ' ' LEU . 76.6 mt -53.6 -43.38 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.862 174.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.676 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 80.6 tttt -56.56 -48.74 76.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.259 176.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.9 m -64.92 -44.35 89.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.667 ' HA ' ' HD3' ' A' ' 61' ' ' LYS . 37.1 mm-40 -61.7 -41.46 97.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 120.867 0.365 . . . . 0.0 111.0 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.464 HD22 HG22 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -61.64 -29.81 70.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.557 178.368 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -74.33 -22.51 59.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.667 ' HD3' ' HA ' ' A' ' 58' ' ' GLU . 46.4 mtpt -73.41 -27.45 61.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.974 0.416 . . . . 0.0 110.563 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.664 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 5.9 m -98.07 100.85 12.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -139.83 24.41 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.658 0.266 . . . . 0.0 111.617 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.22 -152.22 28.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.568 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -78.25 -16.19 58.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.637 0.732 . . . . 0.0 109.652 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 7.0 p-10 -98.81 9.93 42.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.126 -178.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.21 78.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.981 0.419 . . . . 0.0 111.707 -172.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.88 -34.13 74.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.43 -175.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -72.77 -39.05 67.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.346 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.2 mm100 -68.41 -33.53 74.4 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 121.047 -0.261 . . . . 0.0 110.465 176.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -57.68 -33.98 68.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.257 0.551 . . . . 0.0 110.149 172.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.546 ' HA ' ' HE3' ' A' ' 75' ' ' LYS . 34.8 m -79.45 -40.69 29.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.009 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.5 m -69.18 -32.25 71.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.113 0.483 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . 16.6 t80 -65.28 -24.01 67.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.971 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' A' ' 72' ' ' THR . 94.9 mttt -59.59 -39.28 83.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.319 0.581 . . . . 0.0 110.281 176.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.23 -35.5 71.5 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.201 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.1 m -60.35 -47.67 85.06 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.55 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 74' ' ' PHE . 56.8 t -64.87 -35.62 75.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.079 -179.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -54.92 -37.27 66.17 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 111.165 175.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.72 -20.32 51.24 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.461 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.67 -40.97 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.658 0.266 . . . . 0.0 111.466 -176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.1 mt -91.6 36.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.038 0.447 . . . . 0.0 110.428 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -77.37 38.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.841 -177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.13 -11.81 10.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.822 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -129.27 129.5 6.1 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.779 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.2 tt -111.54 -26.42 3.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.865 0.364 . . . . 0.0 110.799 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -75.84 -16.89 60.0 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.025 0.44 . . . . 0.0 110.613 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.21 10.65 54.85 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -85.94 121.64 28.86 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.004 0.43 . . . . 0.0 109.967 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.11 -148.84 15.3 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.327 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.0 t -68.37 -1.38 6.28 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -81.57 -26.87 34.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -146.3 -21.33 0.44 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -173.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -129.61 104.67 7.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.926 0.393 . . . . 0.0 111.232 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.53 143.46 36.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.664 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 8.7 p -79.95 101.38 8.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.571 0.701 . . . . 0.0 110.432 173.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.6 t -78.62 35.44 0.24 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.951 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 35.7 m -78.76 -47.48 16.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.214 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.2 115.36 0.42 Allowed Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -141.9 135.64 29.67 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.803 0.335 . . . . 0.0 110.114 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 169.3 60.88 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.861 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.468 -0.777 . . . . 0.0 109.23 178.561 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.57 -69.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.887 0.375 . . . . 0.0 110.669 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.23 -5.62 13.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.266 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.48 -130.89 3.28 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.153 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -84.56 175.84 6.76 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.229 2.619 . . . . 0.0 112.086 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -62.44 136.07 57.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.595 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.7 m -115.43 -169.43 1.57 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.22 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.568 ' HG3' ' OD2' ' A' ' 38' ' ' ASP . 27.6 mmtp -47.36 -45.69 25.07 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.199 0.523 . . . . 0.0 111.042 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.53 ' HA ' HD11 ' A' ' 41' ' ' LEU . 7.2 pt-20 -58.03 -45.11 87.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.417 -179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.654 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 3.6 mm-40 -67.8 -38.15 82.95 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -175.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 68.0 mt -59.9 -36.43 76.96 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 123.47 0.481 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.891 HD21 HG21 ' A' ' 48' ' ' ILE . 52.4 tp -83.42 -36.94 23.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.791 177.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.581 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 20.1 mtp180 -60.23 -24.55 64.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.26 179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.654 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.0 mt-10 -58.5 -35.84 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.405 0.621 . . . . 0.0 110.113 173.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -103.1 11.77 36.7 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.292 -173.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.553 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 89.9 mt -117.9 166.26 12.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.544 -178.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.628 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 52.5 p -87.95 175.59 7.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -65.23 -36.24 83.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.243 0.544 . . . . 0.0 110.012 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.53 -54.15 47.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.815 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 53.2 mt-30 -65.18 -31.53 72.75 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.959 -173.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 17' ' ' SER . 89.5 mttt -65.5 -38.06 88.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.824 0.345 . . . . 0.0 110.553 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.6 m -70.67 -36.1 73.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -71.44 -20.98 62.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.197 178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 24' ' ' LEU . 15.6 mt -70.68 -44.31 67.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 172.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.08 -34.58 76.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.062 0.458 . . . . 0.0 110.07 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 92.8 t90 -64.64 -47.79 77.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.337 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD21 HG11 ' A' ' 78' ' ' VAL . 3.4 mt -63.6 -33.02 74.69 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.675 0.274 . . . . 0.0 111.288 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.23 -40.9 78.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.567 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -78.44 -35.46 46.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.732 177.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -56.41 -56.79 16.78 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' NE2' ' A' ' 79' ' ' GLN . 4.0 mm? -64.27 -38.07 89.73 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.327 173.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.75 24.42 75.49 Favored Glycine 0 CA--C 1.511 -0.208 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -159.76 124.0 3.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -66.9 -32.51 73.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.998 0.427 . . . . 0.0 110.028 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.98 -36.56 91.16 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 178.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -79.29 -33.88 42.92 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' O ' HD23 ' A' ' 41' ' ' LEU . 21.8 t80 -69.3 -35.29 75.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.568 ' OD2' ' HG3' ' A' ' 8' ' ' LYS . 25.0 t70 -50.04 -42.51 49.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.19 174.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.611 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 1.5 tpmt? -52.12 -34.45 44.46 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.535 -1.211 . . . . 0.0 111.65 -179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.536 ' CE1' HG23 ' A' ' 48' ' ' ILE . 88.0 t80 -73.52 -39.13 65.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.339 0.59 . . . . 0.0 110.246 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.8 mm? -66.03 -26.63 67.61 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.953 -179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.69 37.16 3.38 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.759 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -117.92 -174.29 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.234 0.54 . . . . 0.0 111.007 176.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 48' ' ' ILE . 33.3 t70 -74.29 135.44 42.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.512 178.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -55.66 -41.33 73.49 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.142 0.276 . . . . 0.0 111.436 179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HB2' ' OD1' ' A' ' 44' ' ' ASP . 19.1 m -69.36 -27.52 65.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.649 0.261 . . . . 0.0 110.385 -177.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -82.63 -39.86 21.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.38 . . . . 0.0 110.062 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.891 HG21 HD21 ' A' ' 12' ' ' LEU . 79.0 mt -61.44 -50.61 79.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.536 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.42 -35.42 79.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.7 m -69.48 -42.13 75.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.582 176.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -61.8 -47.58 84.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.25 -39.61 89.63 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.273 178.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -62.53 -46.78 86.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.338 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 51' ' ' ALA . 73.6 mt -54.05 -49.65 59.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.162 174.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.36 -47.63 84.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.957 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -56.8 -55.54 33.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.794 -176.659 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.602 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 70.7 mm-40 -58.65 -49.57 77.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.215 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 71' ' ' LYS . 10.4 tp -65.61 -32.29 73.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.163 -174.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -64.84 -25.4 67.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.098 0.475 . . . . 0.0 110.901 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.602 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 7.7 mtmp? -79.03 -2.56 40.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.017 -179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.592 ' HA ' ' HB3' ' A' ' 98' ' ' CYS . 83.0 m -84.57 89.42 7.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.699 0.762 . . . . 0.0 111.143 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -137.77 100.89 4.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.785 -1.098 . . . . 0.0 108.824 177.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 177.23 -152.19 11.83 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.381 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -77.26 -40.37 44.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.852 0.358 . . . . 0.0 111.522 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -103.76 29.13 6.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.493 -174.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.4 78.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.648 0.261 . . . . 0.0 111.421 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.12 -38.97 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.417 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -72.53 -42.5 64.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.1 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.87 -40.43 95.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.964 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.539 ' HA ' HD11 ' A' ' 59' ' ' LEU . 99.7 mttt -66.26 -19.83 65.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.084 0.469 . . . . 0.0 110.875 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 m -88.83 -44.05 10.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.83 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.7 m -69.85 -28.5 65.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 111.371 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' CD1' HD13 ' A' ' 59' ' ' LEU . 5.1 t80 -59.25 -27.76 66.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.577 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 95.5 mttt -58.24 -44.53 88.33 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.556 176.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 22.5 mt-30 -70.71 -35.0 72.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.577 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 61.9 m -59.62 -46.59 88.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 178.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG11 HD21 ' A' ' 27' ' ' LEU . 58.0 t -67.43 -33.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.037 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 8.8 mm-40 -54.72 -50.28 68.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.069 0.461 . . . . 0.0 110.873 175.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.65 -19.87 75.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.938 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 94' ' ' ALA . . . -75.86 -39.31 56.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.802 0.334 . . . . 0.0 111.33 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 99.4 mt -78.26 -5.83 53.17 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-O 121.546 0.689 . . . . 0.0 110.252 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -82.97 58.91 4.61 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.605 175.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.31 -14.02 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.436 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.36 142.96 7.14 Favored Glycine 0 N--CA 1.44 -1.054 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -68.16 -24.64 30.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.236 0.541 . . . . 0.0 110.232 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.62 95.99 7.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 128.5 -11.5 6.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -63.89 116.5 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.05 -160.25 23.17 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.889 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.471 ' HA ' HG13 ' A' ' 95' ' ' VAL . 13.7 p -68.59 -5.37 19.51 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -85.64 -9.85 56.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.398 -178.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.9 p-10 -148.33 -32.11 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.736 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 81' ' ' ALA . . . -115.96 102.26 9.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 111.079 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' ' 91' ' ' SER . 2.7 m -136.58 154.54 32.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.142 0.496 . . . . 0.0 111.344 178.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.552 ' C ' ' H ' ' A' ' 98' ' ' CYS . 40.7 p -97.52 125.8 42.42 Favored 'General case' 0 N--CA 1.439 -0.995 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 165.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -74.03 30.74 0.08 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.826 0.822 . . . . 0.0 110.371 174.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' CYS . 92.3 m -82.43 91.49 6.86 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.928 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.45 35.45 0.59 Allowed Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 174.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -91.21 154.2 19.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.52 -0.84 . . . . 0.0 111.204 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.33 -98.84 0.15 Allowed Glycine 0 N--CA 1.444 -0.811 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.422 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.185 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.842 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.16 10.6 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -172.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 60.5 mtm -86.63 -7.44 58.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.953 0.406 . . . . 0.0 110.102 177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.52 179.39 17.67 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.599 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -83.46 -163.92 0.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.838 2.359 . . . . 0.0 112.26 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -58.87 122.27 13.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.271 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.5 t -75.17 160.54 30.29 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.186 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 67.4 mttm -59.07 -37.95 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.04 0.448 . . . . 0.0 110.36 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HA ' HD22 ' A' ' 41' ' ' LEU . 7.6 pt-20 -62.87 -32.95 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.708 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.644 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 44.4 mt-10 -72.14 -55.51 7.18 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.336 177.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 75.0 mt -58.58 -38.77 78.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.129 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.495 HD21 HG21 ' A' ' 48' ' ' ILE . 61.3 tp -69.76 -37.26 76.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.023 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.566 ' HA ' HD12 ' A' ' 16' ' ' LEU . 4.6 ptm180 -77.87 -14.55 59.52 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.815 -176.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.644 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.7 mt-10 -70.58 -25.38 63.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.466 0.65 . . . . 0.0 109.332 173.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -89.13 0.44 56.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.981 177.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 13' ' ' ARG . 93.9 mt -107.36 155.46 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.002 -175.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.585 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.1 p -79.21 178.81 7.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 170.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -70.34 -37.2 74.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.25 0.547 . . . . 0.0 110.215 -169.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -64.5 -45.69 86.19 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.39 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.546 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 14.1 mm100 -65.4 -32.26 73.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.667 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HG3' ' O ' ' A' ' 17' ' ' SER . 98.2 mttt -63.91 -35.64 81.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.69 0.281 . . . . 0.0 111.098 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.6 m -66.67 -48.62 68.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 59.2 m80 -70.67 -21.4 62.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.062 -178.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.19 -51.57 65.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.436 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.4 t70 -65.25 -38.92 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.517 177.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.494 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 88.9 t90 -58.25 -44.2 88.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.608 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.04 -30.73 71.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE3' ' CD1' ' A' ' 37' ' ' PHE . 2.9 ttmt -60.83 -48.11 83.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.307 175.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -65.77 -38.36 88.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 177.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.24 -49.1 75.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.409 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.487 HD23 ' HG2' ' A' ' 79' ' ' GLN . 90.3 mt -74.87 -30.58 61.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.87 -61.22 4.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.42 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.448 HD22 ' HG2' ' A' ' 36' ' ' GLU . 44.3 t30 -80.29 126.42 31.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.828 0.347 . . . . 0.0 110.539 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.78 -34.15 71.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.198 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.26 99.59 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.602 177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HG2' HD22 ' A' ' 33' ' ' ASN . 13.2 mm-40 -75.62 -28.14 58.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 179.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.578 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 40.8 t80 -73.44 -36.7 65.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.874 177.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 41' ' ' LEU . 12.3 t70 -57.9 -37.73 74.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.121 175.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HE3' ' HB2' ' A' ' 39' ' ' LYS . 4.4 tppp? -50.0 -46.92 53.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.642 176.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.544 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 84.4 t80 -67.99 -33.32 74.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.944 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 38' ' ' ASP . 56.5 mt -74.69 2.83 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.496 -0.774 . . . . 0.0 112.005 -175.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.96 36.48 2.95 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.196 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.544 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 16.1 m-85 -112.61 -177.73 3.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.272 0.558 . . . . 0.0 112.267 -177.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.545 ' O ' HG13 ' A' ' 48' ' ' ILE . 23.4 t70 -66.14 131.69 46.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.354 176.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 12.1 mt-10 -55.54 -38.93 69.92 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.287 0.367 . . . . 0.0 111.61 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.5 m -72.97 -34.05 66.24 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.288 -177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.554 ' HD3' HG23 ' A' ' 86' ' ' ILE . 64.0 mttp -70.95 -39.5 72.57 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 175.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 44' ' ' ASP . 59.7 mt -60.1 -50.95 78.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.346 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 33.4 mmtp -57.24 -47.27 81.77 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.559 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.3 m -58.23 -46.13 86.47 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -58.75 -50.66 73.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.747 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.56 -47.31 84.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.555 -177.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.57 -38.01 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.049 0.452 . . . . 0.0 110.77 -178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.49 -47.69 77.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.196 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG23 ' HE2' ' A' ' 74' ' ' PHE . 87.0 mt -54.18 -45.33 66.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 110.107 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -59.2 -45.16 91.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.459 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.0 p -66.36 -44.86 82.04 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.71 ' HB3' HG23 ' A' ' 96' ' ' THR . 62.1 mm-40 -62.24 -43.57 98.53 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 120.954 0.406 . . . . 0.0 111.016 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.76 -25.75 68.33 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.36 -17.05 57.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.299 0.571 . . . . 0.0 110.85 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.37 -36.59 39.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.959 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.547 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 8.3 m -90.88 83.05 5.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 -171.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -140.21 80.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.126 0.488 . . . . 0.0 110.704 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.5 ' H ' ' HB2' ' A' ' 67' ' ' ALA . . . -143.37 -149.86 5.18 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 173.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.66 -27.17 67.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.126 0.488 . . . . 0.0 111.016 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.11 20.08 19.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.395 -177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB2' ' H ' ' A' ' 64' ' ' GLY . . . -58.93 -54.7 44.19 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 120.979 0.419 . . . . 0.0 110.986 -173.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.51 -38.47 81.03 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.015 -177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -71.63 -46.35 59.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.392 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.62 ' HB3' ' SG ' ' A' ' 98' ' ' CYS . 15.1 mm100 -63.76 -41.24 98.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.174 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 65.2 mttm -59.9 -43.16 94.98 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 121.097 0.475 . . . . 0.0 110.087 176.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.533 ' HA ' ' HD2' ' A' ' 75' ' ' LYS . 64.5 m -70.28 -27.67 64.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.059 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.412 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 44.0 m -74.28 -37.61 63.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.126 176.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.6 t80 -63.12 -30.95 72.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.453 179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HD2' ' HA ' ' A' ' 72' ' ' THR . 92.5 mttt -53.9 -42.11 68.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.166 0.508 . . . . 0.0 110.426 174.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 73' ' ' THR . 39.0 mt-30 -74.43 -34.25 63.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.382 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.3 m -62.87 -49.05 76.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.412 175.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 74' ' ' PHE . 61.0 t -64.39 -36.47 77.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.495 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HG2' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.44 -38.46 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.156 0.503 . . . . 0.0 110.894 175.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.96 6.23 82.87 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.767 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -97.34 -49.79 4.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.839 0.319 . . . . 0.0 111.453 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.575 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.3 mm? -86.21 9.4 17.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.021 0.439 . . . . 0.0 111.677 -177.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 p -67.64 -34.8 77.7 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.388 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -126.71 30.15 4.27 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.347 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 127.67 169.73 12.72 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.888 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG23 ' HD3' ' A' ' 47' ' ' LYS . 15.0 tt -118.58 -2.48 9.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 121.496 0.665 . . . . 0.0 109.932 178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.46 -40.63 85.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.422 -175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.66 25.3 28.54 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.291 -179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.539 ' CE2' HD21 ' A' ' 82' ' ' LEU . 13.2 t80 -83.78 126.88 33.37 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 166.22 -149.58 15.74 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.577 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.7 m -72.91 -0.99 15.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.031 0.443 . . . . 0.0 110.747 -178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.81 -29.13 24.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.984 -178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -134.0 -33.6 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -111.71 94.07 4.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 0.0 110.86 -176.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.8 m -130.38 142.94 42.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' ' 58' ' ' GLU . 6.6 p -73.64 108.4 6.46 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.157 0.503 . . . . 0.0 110.764 172.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 p -74.44 61.11 0.9 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.624 172.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' A' ' 70' ' ' GLN . 62.9 m -109.51 50.13 0.8 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.833 -175.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -72.53 -43.02 46.15 Favored Glycine 0 N--CA 1.442 -0.956 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 173.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -174.69 124.35 0.28 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.867 -0.666 . . . . 0.0 110.155 171.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.81 -41.74 10.49 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 173.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.308 -0.853 . . . . 0.0 109.422 171.595 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.04 -78.61 0.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.625 0.25 . . . . 0.0 110.454 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -94.02 -30.12 14.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.268 0.556 . . . . 0.0 109.983 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.05 -155.12 26.15 Favored Glycine 0 N--CA 1.443 -0.866 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.714 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.59 -160.61 0.13 Allowed 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.955 2.437 . . . . 0.0 112.401 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -56.61 140.35 47.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.071 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.7 t -92.63 178.25 5.86 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.996 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -62.82 -29.09 70.46 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.263 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.533 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.2 pt-20 -65.16 -39.97 93.67 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 2.0 mp0 -57.55 -35.47 70.38 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-O 121.029 0.442 . . . . 0.0 110.637 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.6 mt -79.36 -42.38 25.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.326 -179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.742 HD21 HG21 ' A' ' 48' ' ' ILE . 61.6 tp -66.75 -40.34 88.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.614 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 23.0 mtp180 -61.46 -27.36 68.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.026 -178.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 42.6 mt-10 -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 176.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -98.49 -5.09 32.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.814 -175.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 97.4 mt -92.1 164.53 13.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.903 0.383 . . . . 0.0 111.079 -177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.602 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 55.0 p -85.89 178.7 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.035 177.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -58.61 -48.4 81.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.204 0.526 . . . . 0.0 110.751 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -58.28 -52.76 64.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -64.19 -25.6 68.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.208 -171.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HE2' ' O ' ' A' ' 13' ' ' ARG . 94.9 mttt -66.89 -46.11 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 91.0 m -77.15 -35.96 55.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -177.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 19.2 m80 -66.7 -23.9 66.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.905 0.384 . . . . 0.0 110.76 175.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 25.0 tp -69.97 -38.78 76.17 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.694 177.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -59.97 -48.21 82.63 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.481 172.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -53.56 -47.53 69.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.195 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 31' ' ' LEU . 52.4 tp -58.06 -49.37 77.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.586 178.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 23.6 ttpt -56.5 -49.95 73.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.351 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -60.96 -34.72 75.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.937 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 -55.6 19.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.91 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 10.8 mp -60.84 -49.07 78.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.71 178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 92.29 -63.2 2.39 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.666 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -77.51 132.3 38.32 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.824 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -59.04 -33.75 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.195 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.69 -36.85 93.86 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.691 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -79.79 -39.99 29.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.995 0.426 . . . . 0.0 110.106 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 28' ' ' LYS . 20.1 t80 -64.37 -34.74 78.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.665 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.47 -50.53 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.556 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -54.15 -39.74 66.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.384 -176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 79.8 t80 -68.57 -40.87 80.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.145 0.498 . . . . 0.0 111.273 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 67.9 mt -65.75 -19.09 65.76 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.788 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.55 31.25 8.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.716 -0.754 . . . . 0.0 113.023 -178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 14.0 m-85 -103.0 -177.62 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.208 0.528 . . . . 0.0 111.728 179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.64 133.43 49.34 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.041 175.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -57.34 -42.23 81.54 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -62.49 -23.75 67.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -90.17 -40.93 11.91 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.742 HG21 HD21 ' A' ' 12' ' ' LEU . 79.4 mt -60.75 -53.3 50.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.351 179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -64.1 -38.26 90.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.212 -176.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.4 m -67.29 -40.52 86.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.618 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -59.7 -47.94 83.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.762 0.315 . . . . 0.0 110.664 177.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.53 -43.14 94.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.52 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -72.31 -29.12 63.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.693 0.283 . . . . 0.0 111.063 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -67.84 -43.08 80.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 51' ' ' ALA . 86.3 mt -54.35 -49.02 67.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.412 0.625 . . . . 0.0 109.758 172.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 25.7 tttm -56.74 -39.36 73.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.176 175.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.7 m -63.69 -46.43 85.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.976 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -70.74 -40.76 72.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.473 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.69 -25.26 67.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.7 -25.57 63.93 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.506 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -74.9 -29.37 60.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.708 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 3.2 m -109.76 93.55 4.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.533 -173.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.532 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 63.3 m-80 -142.24 29.47 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.181 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.05 -131.55 7.35 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.389 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -82.21 -6.34 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.845 0.831 . . . . 0.0 109.523 175.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -98.32 -6.58 30.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.502 -177.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' ' HA ' ' A' ' 63' ' ' ASN . . . -55.94 -61.84 2.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 112.067 -166.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -61.58 -31.05 71.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.415 -174.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -78.96 -46.83 17.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.194 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -67.43 -35.94 80.23 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 65.5 mttm -65.17 -24.39 67.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.143 0.497 . . . . 0.0 109.899 175.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 95.4 m -83.29 -39.06 21.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.659 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.1 m -68.65 -36.71 78.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.764 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -64.14 -27.55 69.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.76 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 95.0 mttt -55.83 -42.77 76.24 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-O 121.133 0.492 . . . . 0.0 110.77 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -70.9 -35.32 72.25 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.858 -177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 70.8 m -66.07 -54.48 25.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.928 177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.52 -36.55 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.632 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.52 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 13.1 tm0? -48.78 -48.63 41.03 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 122.837 0.455 . . . . 0.0 111.716 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.17 -18.63 79.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.567 -176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.497 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -70.05 -57.15 5.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.766 0.317 . . . . 0.0 111.44 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.9 mm? -79.76 -5.7 55.83 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.195 0.521 . . . . 0.0 112.133 -173.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.4 m -76.94 -39.33 51.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.506 175.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.42 -41.76 7.25 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.306 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 165.2 143.45 3.73 Favored Glycine 0 N--CA 1.441 -0.971 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.826 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 tt -86.61 -12.66 10.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.516 0.674 . . . . 0.0 109.623 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.29 -21.63 66.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.529 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.06 25.78 7.73 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.087 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HD21 ' A' ' 82' ' ' LEU . 23.7 t80 -81.23 136.59 35.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.403 0.62 . . . . 0.0 109.758 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.42 -153.74 24.97 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.929 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 m -69.97 -2.48 12.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 0.0 110.706 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -70.63 -39.75 73.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.542 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -116.53 -58.3 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.938 -177.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.78 96.97 10.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.279 -171.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.86 136.13 52.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.017 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.708 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 2.2 p -79.6 103.84 9.79 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 120.619 -0.432 . . . . 0.0 109.894 175.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -71.39 65.28 0.43 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.53 0.681 . . . . 0.0 110.955 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 32.7 m -117.17 98.4 6.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.179 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -137.72 151.82 21.42 Favored Glycine 0 N--CA 1.44 -1.079 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.27 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -127.19 146.59 50.35 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.506 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -106.79 47.79 1.02 Allowed Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 175.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.442 -177.61 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.932 -0.467 . . . . 0.0 111.932 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.6 -169.6 2.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt -75.28 -15.94 60.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.026 0.441 . . . . 0.0 110.456 175.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.28 -127.5 5.32 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.89 158.63 42.48 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.69 2.26 . . . . 0.0 110.997 174.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HE3' ' HB3' ' A' ' 10' ' ' GLU . 13.9 ptmt -73.55 136.58 44.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.352 0.596 . . . . 0.0 111.498 -178.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -118.14 -163.08 0.92 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.546 -173.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -51.85 -44.51 63.67 Favored 'General case' 0 C--O 1.226 -0.178 0 O-C-N 123.529 0.518 . . . . 0.0 111.067 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 10' ' ' GLU . 7.9 pt-20 -58.24 -34.35 70.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.642 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 1.8 tm-20 -77.86 -45.85 23.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.941 -178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 31.2 mt -64.82 -38.29 90.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.537 -179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 48' ' ' ILE . 61.6 tp -71.17 -42.46 69.07 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.15 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.607 ' O ' ' HE2' ' A' ' 21' ' ' LYS . 11.8 ptp180 -67.99 -16.9 64.25 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.807 -177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.642 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 48.6 mt-10 -66.09 -39.16 89.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.116 0.484 . . . . 0.0 110.133 173.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 6.1 mtpm? -91.51 -6.5 52.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.408 -177.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 12' ' ' LEU . 96.0 mt -90.5 155.8 18.64 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.376 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.627 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 10.8 t -73.5 164.84 26.11 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.37 -27.36 61.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.335 0.588 . . . . 0.0 110.118 -173.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -68.81 -27.83 66.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.424 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG3' ' HB3' ' A' ' 17' ' ' SER . 46.0 mt-30 -84.53 -30.84 24.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 17' ' ' SER . 87.2 mttt -61.63 -35.91 79.26 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.899 -178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.2 m -63.02 -40.64 98.35 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.049 0.452 . . . . 0.0 111.286 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.514 ' CD2' HD12 ' A' ' 59' ' ' LEU . 59.1 m80 -80.43 -17.17 52.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' HZ ' ' A' ' 37' ' ' PHE . 35.3 tp -65.89 -49.8 66.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 174.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -68.35 -31.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.45 ' HB3' ' HA ' ' A' ' 23' ' ' HIS . 90.5 t90 -60.65 -43.99 96.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.935 176.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.99 -32.2 73.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -59.13 -48.97 79.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.175 0.512 . . . . 0.0 110.234 176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -68.69 -36.91 79.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.66 -48.77 80.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.175 -179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 37' ' ' PHE . 72.5 mt -73.87 -29.4 62.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.693 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.63 5.61 64.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.186 -0.531 . . . . 0.0 112.54 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -144.2 119.33 10.1 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.33 -23.0 66.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.99 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -72.76 -39.88 54.21 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.275 177.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.726 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 44.7 mt-10 -79.95 -27.92 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.306 0.574 . . . . 0.0 110.036 177.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' HA ' HD12 ' A' ' 31' ' ' LEU . 33.7 t80 -69.36 -26.15 64.54 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.47 0.652 . . . . 0.0 109.785 173.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.493 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 29.4 t70 -61.29 -42.62 98.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.313 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.726 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.9 ptmt -56.51 -35.89 68.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.063 -177.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.447 ' CE2' HG23 ' A' ' 48' ' ' ILE . 83.3 t80 -69.24 -35.07 75.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.197 0.522 . . . . 0.0 110.347 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 50.9 mt -73.02 -7.0 49.24 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.505 -177.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -106.58 10.48 42.04 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.125 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.439 ' CD2' ' HA ' ' A' ' 40' ' ' PHE . 13.1 m-85 -89.5 178.22 6.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.905 0.383 . . . . 0.0 111.107 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' O ' HG13 ' A' ' 48' ' ' ILE . 15.5 t70 -71.52 141.39 50.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.552 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' CD ' ' HZ2' ' A' ' 15' ' ' LYS . 2.4 mt-10 -56.14 -38.44 70.85 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.257 0.348 . . . . 0.0 111.241 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 38.9 m -67.49 -32.28 72.99 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.458 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG3' ' HB3' ' A' ' 44' ' ' ASP . 62.6 mttm -79.58 -40.9 28.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG21 HD21 ' A' ' 12' ' ' LEU . 78.7 mt -59.78 -51.66 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.847 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -62.51 -39.08 92.37 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.809 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 91.8 m -61.2 -44.12 97.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.565 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.45 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -63.38 -53.07 58.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.149 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.17 -42.25 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.728 -176.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.31 -33.6 75.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.029 0.442 . . . . 0.0 109.982 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -65.83 -48.08 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.894 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 51' ' ' ALA . 82.8 mt -53.07 -46.83 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.45 175.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 15.2 ttpt -57.62 -45.06 85.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.145 176.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.9 m -62.28 -44.47 96.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.087 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 96' ' ' THR . 53.4 mm-40 -65.59 -46.54 79.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 177.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD12 ' CD2' ' A' ' 23' ' ' HIS . 48.4 mt -64.2 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.59 0.233 . . . . 0.0 111.506 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -62.92 -22.55 66.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.38 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -74.8 -17.11 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB3' ' HB1' ' A' ' 67' ' ' ALA . 1.2 m -117.91 93.61 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.302 0.572 . . . . 0.0 111.779 -175.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -126.26 93.92 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.771 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 173.6 -170.98 44.15 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.746 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.68 -55.54 6.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.049 0.452 . . . . 0.0 110.432 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.16 -28.68 69.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.504 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB1' ' HB3' ' A' ' 62' ' ' CYS . . . -62.73 -27.02 68.98 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.536 -177.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.69 -44.08 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.371 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -64.95 -39.44 93.5 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.393 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -61.13 -43.64 98.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -69.45 -36.37 76.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.6 m -66.24 -37.79 86.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.495 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -69.94 -31.52 69.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.242 0.544 . . . . 0.0 110.183 175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 78' ' ' VAL . 30.3 t80 -64.33 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.257 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -56.83 -38.43 72.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.656 175.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 79' ' ' GLN . 45.2 mt-30 -77.93 -28.71 49.71 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.636 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 16.0 m -65.01 -47.44 77.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.754 173.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 74' ' ' PHE . 82.7 t -62.15 -35.07 66.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.25 174.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.543 ' HB2' ' HA ' ' A' ' 76' ' ' GLN . 5.1 mm-40 -56.09 -36.75 68.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.305 174.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.09 -0.05 88.9 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.381 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.547 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -94.69 -65.65 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.577 0.227 . . . . 0.0 111.524 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.565 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.1 mm? -75.85 -1.78 26.93 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 p -75.95 -38.08 57.94 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.564 175.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.42 -38.69 7.58 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.07 177.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 163.64 152.85 7.05 Favored Glycine 0 N--CA 1.439 -1.104 0 C-N-CA 120.455 -0.878 . . . . 0.0 111.973 -179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.8 tt -88.06 -20.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-O 121.044 0.45 . . . . 0.0 110.564 -177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.89 -10.35 59.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.465 0.65 . . . . 0.0 109.863 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.11 10.59 43.92 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.387 175.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.553 ' CE2' HD21 ' A' ' 82' ' ' LEU . 21.4 t80 -81.46 120.58 25.17 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.14 -161.96 25.67 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.212 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.4 ' HA ' HG13 ' A' ' 95' ' ' VAL . 26.7 p -73.78 -2.84 25.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.991 0.424 . . . . 0.0 111.516 -177.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.21 -36.82 26.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.518 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.5 p-10 -121.21 -13.34 8.53 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.02 104.74 5.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 111.338 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' A' ' 91' ' ' SER . 3.2 m -146.09 153.68 13.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.546 176.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.729 ' HB ' ' SG ' ' A' ' 98' ' ' CYS . 18.6 p -101.27 113.35 26.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.2 0.524 . . . . 0.0 110.487 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 p -76.9 53.44 0.93 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.467 0.651 . . . . 0.0 111.069 176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.729 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 63.3 m -81.52 48.88 1.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.841 -177.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -95.48 64.99 1.28 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -76.53 135.12 39.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.293 0.568 . . . . 0.0 111.067 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 156.08 167.14 17.03 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.432 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.307 -0.854 . . . . 0.0 109.933 179.414 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.985 -0.446 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.26 -69.12 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.769 0.318 . . . . 0.0 110.561 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -112.16 111.59 22.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.874 177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.23 -152.9 17.07 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.625 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -85.3 170.32 9.44 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 122.953 2.435 . . . . 0.0 111.814 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -65.63 134.53 53.46 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.956 0.408 . . . . 0.0 110.412 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 13.6 p -95.99 -173.53 2.85 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.242 -169.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -56.61 -39.4 73.53 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -172.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 10' ' ' GLU . 4.5 pm0 -64.03 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.212 178.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.616 ' O ' ' HG3' ' A' ' 14' ' ' GLU . 35.3 mt-10 -72.0 -28.96 63.75 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-O 120.699 0.285 . . . . 0.0 110.805 -178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' HA ' ' OE1' ' A' ' 14' ' ' GLU . 56.8 mt -76.09 -38.44 56.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.099 175.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 48' ' ' ILE . 65.7 tp -68.65 -41.19 79.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.172 -178.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.548 ' HA ' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -67.6 -16.37 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.504 -177.279 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 33.4 mt-10 -72.35 -29.83 64.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 175.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -98.22 2.95 48.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.931 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 20' ' ' GLN . 57.7 mt -96.85 172.41 7.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.617 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.4 m -80.84 170.9 15.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.458 173.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.94 -36.9 85.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 110.309 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.04 -48.23 66.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.769 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 12.5 mm100 -58.38 -32.76 68.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.585 -177.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 17' ' ' SER . 97.4 mttt -58.18 -41.47 83.94 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.106 0.479 . . . . 0.0 111.034 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -71.92 -40.46 68.76 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.777 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 56' ' ' LYS . 39.4 m80 -70.3 -28.34 65.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.15 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.66 -51.96 65.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.279 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 22.7 t70 -70.23 -30.58 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.171 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.3 t90 -56.65 -46.98 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.259 174.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.474 HD13 HG11 ' A' ' 78' ' ' VAL . 43.5 tp -62.71 -36.43 82.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.516 178.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 35.4 ttmt -58.41 -47.33 84.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.159 176.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 37.0 mt-10 -67.83 -35.01 77.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.686 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.91 91.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.865 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.1 mt -76.38 -45.65 30.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.57 12.55 83.66 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.258 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -139.05 124.18 19.0 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 5.0 p-10 -64.79 -36.04 83.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -66.66 -42.54 93.27 Favored Glycine 0 CA--C 1.52 0.344 0 CA-C-N 115.489 -0.778 . . . . 0.0 113.042 179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -71.62 -39.26 70.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 110.446 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -69.7 -29.69 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.874 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 34' ' ' ASP . 15.8 t70 -57.39 -44.47 84.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.878 175.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.45 -38.39 77.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.024 -178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.34 -38.04 86.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.546 . . . . 0.0 110.33 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -71.88 -9.07 57.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.095 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.75 21.63 45.0 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.189 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -102.94 -177.07 3.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.269 0.556 . . . . 0.0 111.649 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . 50.5 t0 -73.54 129.49 38.09 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.153 -0.93 . . . . 0.0 109.134 174.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.72 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 5.3 mt-10 -56.19 -34.9 66.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.093 0.246 . . . . 0.0 110.728 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m -59.85 -36.09 76.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.441 0.638 . . . . 0.0 109.865 179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HD2' ' HB3' ' A' ' 44' ' ' ASP . 39.2 mttp -81.82 -35.23 29.66 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.971 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.581 HG21 HD21 ' A' ' 12' ' ' LEU . 80.3 mt -63.63 -47.03 93.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.733 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 27.9 mmtt -57.86 -44.77 86.8 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.1 m -62.66 -46.34 88.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.948 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.11 -49.24 78.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.64 -42.06 99.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.193 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -22.83 55.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.795 -176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -73.86 -42.84 60.21 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 77.2 mt -53.98 -51.57 44.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 23' ' ' HIS . 68.4 tttt -53.22 -39.77 64.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.822 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 48.0 t -65.27 -54.71 25.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.173 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.605 ' HB3' HG23 ' A' ' 96' ' ' THR . 72.7 mm-40 -64.28 -37.83 88.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.154 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 64.9 mt -60.77 -24.93 66.15 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.114 -0.366 . . . . 0.0 111.075 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 57' ' ' SER . 15.1 t70 -70.59 -27.51 64.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.692 177.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' N ' ' HE2' ' A' ' 61' ' ' LYS . 8.8 mmpt? -69.5 -31.27 69.41 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.235 0.541 . . . . 0.0 110.254 -175.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.42 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 52.5 m -95.99 100.37 12.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.164 179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -144.45 105.05 4.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.764 0.792 . . . . 0.0 109.376 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.13 -153.63 24.48 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.902 -176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -59.47 -53.04 62.68 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -175.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -93.09 14.58 17.46 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.409 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.24 -50.0 69.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -170.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 13.3 t70 -59.99 -39.05 84.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 -173.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.95 -36.72 72.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.23 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -66.15 -36.92 84.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.788 0.327 . . . . 0.0 110.22 174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 68' ' ' ASP . 63.2 mttm -63.09 -37.52 87.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.805 174.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -68.35 -37.22 80.28 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.523 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 31.9 m -67.28 -33.61 75.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.632 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.449 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 t80 -63.02 -27.38 69.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.677 -177.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.548 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 95.0 mttt -54.13 -43.27 70.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.765 175.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.13 -30.19 64.79 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.992 -175.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 94' ' ' ALA . 45.7 m -68.61 -45.36 72.13 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.315 176.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG11 HD13 ' A' ' 27' ' ' LEU . 59.5 t -64.27 -33.05 60.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.879 179.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 98.9 mt-30 -53.39 -44.89 69.04 Favored 'General case' 0 N--CA 1.457 -0.081 0 CA-C-O 121.348 0.594 . . . . 0.0 110.258 174.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.47 27.04 16.93 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.441 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.38 -47.61 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.71 0.291 . . . . 0.0 110.938 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.9 mm? -80.19 10.25 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 0.0 111.84 -177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.6 t -87.9 -32.59 18.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.839 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.05 78.43 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.284 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 118.74 146.28 7.94 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -178.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -74.94 -19.54 16.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.609 . . . . 0.0 109.829 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.25 -41.79 99.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.15 5.0 81.44 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.202 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.435 ' CE1' HD21 ' A' ' 82' ' ' LEU . 28.6 t80 -70.65 121.21 17.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 170.25 -145.02 8.82 Favored Glycine 0 N--CA 1.436 -1.303 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.28 2.92 16.84 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.49 0.662 . . . . 0.0 109.956 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.23 -38.74 55.96 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.409 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -117.48 -62.7 1.53 Allowed 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.673 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 77' ' ' THR . . . -82.79 99.8 9.9 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.08 -170.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.448 HG21 ' HA2' ' A' ' 101' ' ' GLY . 2.4 m -136.48 141.28 41.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.103 177.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.605 HG23 ' HB3' ' A' ' 58' ' ' GLU . 12.1 p -85.71 116.62 24.09 Favored 'General case' 0 N--CA 1.439 -0.981 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.194 171.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 16.8 p -61.95 0.25 0.41 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.694 178.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 37.0 m -73.29 -15.74 61.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.047 0.451 . . . . 0.0 109.835 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.9 -57.77 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.402 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 97' ' ' THR . 51.8 t30 -107.03 -164.62 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 O-C-N 122.636 -0.332 . . . . 0.0 110.418 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' HA2' HG21 ' A' ' 95' ' ' VAL . . . 104.97 -47.68 1.05 Allowed Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 110.236 -1.146 . . . . 0.0 110.236 -174.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.076 -0.964 . . . . 0.0 108.87 171.256 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.63 126.44 30.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.665 0.269 . . . . 0.0 110.358 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt -100.98 -23.59 14.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.743 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.31 -121.56 1.36 Allowed Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.121 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -64.25 -177.98 0.57 Allowed 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.663 2.909 . . . . 0.0 112.94 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -84.5 161.69 20.15 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.421 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.413 ' HB3' ' HG2' ' A' ' 9' ' ' GLU . 42.5 t -108.42 169.03 8.9 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.65 -33.04 69.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.711 0.291 . . . . 0.0 110.498 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' HA ' HD22 ' A' ' 41' ' ' LEU . 9.7 pt-20 -61.65 -35.18 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.703 177.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 12.9 tp10 -72.34 -42.54 65.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.943 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.6 mt -69.02 -34.25 74.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.677 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.691 HD21 HG21 ' A' ' 48' ' ' ILE . 60.4 tp -73.32 -43.53 60.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.474 -178.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 1.8 ptm180 -63.74 -18.8 64.41 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.508 -175.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 10' ' ' GLU . 30.3 mt-10 -64.75 -39.35 93.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.084 0.469 . . . . 0.0 110.262 175.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HE3' HD12 ' A' ' 12' ' ' LEU . 39.0 mtmt -85.93 -5.66 59.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.282 -178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 13' ' ' ARG . 86.0 mt -93.86 158.05 15.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.207 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 6.3 p -82.75 175.21 10.3 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.075 176.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.07 -37.47 87.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -172.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -68.54 -41.48 79.78 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.219 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 16' ' ' LEU . 96.2 mt-30 -70.14 -33.92 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.037 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 17' ' ' SER . 90.1 mttt -60.66 -40.12 90.85 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.278 0.561 . . . . 0.0 110.219 175.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 m -67.16 -47.24 71.63 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.717 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 26' ' ' TRP . 53.9 m80 -72.89 -18.91 61.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.051 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 9' ' ' GLU . 3.2 tm? -63.48 -50.16 70.78 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 28' ' ' LYS . 17.1 t70 -64.94 -38.7 91.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.465 ' CZ3' HG21 ' A' ' 78' ' ' VAL . 81.1 t90 -59.88 -44.14 94.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.773 177.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 27' ' ' LEU . 2.3 tt -66.61 -29.16 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.022 0.439 . . . . 0.0 110.352 -178.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' HB3' ' O ' ' A' ' 25' ' ' ASP . 24.1 ttmm -55.19 -47.75 74.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.951 173.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.61 -31.13 67.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.713 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' ' 75' ' ' LYS . . . -60.64 -51.65 68.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.238 -178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.8 mt -82.05 -29.59 31.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.37 -58.75 3.28 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.345 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -70.39 123.41 21.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.748 0.309 . . . . 0.0 110.452 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.85 -30.59 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.193 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 38' ' ' ASP . . . -64.49 -43.72 96.24 Favored Glycine 0 CA--C 1.52 0.394 0 CA-C-N 115.998 -0.547 . . . . 0.0 113.101 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' O ' ' HB3' ' A' ' 39' ' ' LYS . 73.7 mm-40 -72.46 -35.66 68.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.054 0.454 . . . . 0.0 111.004 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 60.8 t80 -71.49 -33.82 69.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.677 177.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 12.6 t70 -55.04 -44.86 75.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.251 172.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 36.3 ttmt -54.01 -44.78 71.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.303 177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 91.9 t80 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.124 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 37' ' ' PHE . 39.8 mt -71.38 -12.79 61.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.704 -175.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -111.81 31.05 7.31 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.652 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' CD1' ' HA ' ' A' ' 40' ' ' PHE . 10.3 m-85 -103.21 -178.92 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 111.895 179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.459 ' OD1' ' HG3' ' A' ' 47' ' ' LYS . 21.3 t70 -58.56 129.73 43.48 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.924 176.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -53.38 -39.46 64.24 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 t -76.38 -31.92 58.27 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.552 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.459 ' HG3' ' OD1' ' A' ' 44' ' ' ASP . 56.1 mttm -74.97 -38.6 61.63 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.976 0.417 . . . . 0.0 110.072 -179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.691 HG21 HD21 ' A' ' 12' ' ' LEU . 65.6 mt -59.36 -52.93 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.839 178.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -55.8 -44.49 77.88 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.7 m -61.55 -44.97 96.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.096 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 55' ' ' ILE . . . -60.23 -48.17 82.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.929 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.48 -40.1 92.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.601 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -68.71 -37.99 79.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.383 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -59.08 -44.11 91.86 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.111 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 51' ' ' ALA . 77.2 mt -53.54 -48.98 57.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.579 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HB3' ' HZ3' ' A' ' 56' ' ' LYS . 8.0 ttpm? -58.33 -40.82 83.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 48.4 m -61.85 -52.89 62.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.279 -178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' HB3' HG23 ' A' ' 96' ' ' THR . 68.0 mm-40 -65.7 -51.13 61.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 111.253 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.2 tp -61.31 -24.19 66.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.743 -173.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -71.6 -35.8 70.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.748 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.63 -27.11 67.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.558 -176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.487 ' SG ' ' HB ' ' A' ' 96' ' ' THR . 23.2 m -91.85 97.75 11.17 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -145.4 108.84 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.851 0.834 . . . . 0.0 110.016 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.16 -153.43 23.95 Favored Glycine 0 N--CA 1.444 -0.784 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.39 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -67.37 -33.5 75.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.911 0.386 . . . . 0.0 111.174 -177.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 70' ' ' GLN . 5.6 p-10 -89.95 -6.93 55.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.633 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.742 -169.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -59.15 -32.93 70.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.26 0.552 . . . . 0.0 111.079 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -86.59 -40.78 14.85 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.826 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 13.7 mm100 -63.72 -42.62 97.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.065 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -62.67 -31.39 72.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.954 0.407 . . . . 0.0 110.687 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 74.7 m -77.97 -36.07 49.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.662 177.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 32.6 m -74.75 -27.0 60.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 0.0 111.092 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.437 ' HE2' HG23 ' A' ' 55' ' ' ILE . 20.8 t80 -64.6 -27.0 68.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.943 0.401 . . . . 0.0 110.08 178.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.595 ' HB3' ' HA ' ' A' ' 30' ' ' ALA . 90.5 mttt -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.573 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.461 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 24.2 mt-30 -73.28 -25.87 60.86 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.872 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 42.2 m -69.1 -45.52 70.03 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.846 176.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.465 HG21 ' CZ3' ' A' ' 26' ' ' TRP . 73.7 t -60.99 -25.28 35.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.122 -179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 76' ' ' GLN . 18.5 mm-40 -56.36 -42.56 77.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.394 175.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -88.9 10.24 73.45 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.333 -177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.488 ' HB3' HD22 ' A' ' 82' ' ' LEU . . . -100.73 -62.5 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.6 mm? -76.45 -0.63 23.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 112.12 -174.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 p -85.07 -16.48 40.5 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.977 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.69 10.65 25.63 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.972 178.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.31 141.21 10.24 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.5 tt -76.01 -21.38 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.302 0.572 . . . . 0.0 110.199 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.9 -29.07 70.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.478 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.79 10.93 59.12 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.427 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.528 ' CE2' HD21 ' A' ' 82' ' ' LEU . 17.2 t80 -77.01 119.16 20.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.07 -155.83 18.98 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.5 p -74.94 9.77 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.974 0.416 . . . . 0.0 111.29 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -95.43 -10.91 28.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.478 ' ND2' ' HA ' ' A' ' 81' ' ' ALA . 31.4 p-10 -151.28 -31.62 0.16 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.657 -177.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -110.54 99.64 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 0.0 110.656 177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 149.81 23.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.965 0.412 . . . . 0.0 111.793 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.551 HG23 ' HB3' ' A' ' 58' ' ' GLU . 13.3 p -94.51 113.99 25.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.462 171.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.1 p -83.32 43.11 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.487 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.82 5.74 45.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -131.85 95.55 0.31 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.175 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -95.56 -25.4 16.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.807 0.337 . . . . 0.0 110.671 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 79.49 -74.94 2.17 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.507 -176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.7 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.622 -0.704 . . . . 0.0 109.192 177.203 . . . . . . . . 0 0 . 1 stop_ save_